S100B

Protein s100-b (s-100 protein beta chain)

Reviewed UniProt entries for S100B and its protein partners


UniProt code UniProt Name Protein Name Gene Name Organism Length
P02638 S100B_BOVIN Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) (S100 calcium-binding protein B) S100B Bos taurus (Bovine) 92
P04271 S100B_HUMAN Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) (S100 calcium-binding protein B) S100B Homo sapiens (Human) 92
P50114 S100B_MOUSE Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) (S100 calcium-binding protein B) S100b Mus musculus (Mouse) 92
Q6YNR6 S100B_RABIT Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) (S100 calcium-binding protein B) S100B Oryctolagus cuniculus (Rabbit) 92
P04631 S100B_RAT Protein S100-B (S-100 protein beta chain) (S-100 protein subunit beta) (S100 calcium-binding protein B) S100b Rattus norvegicus (Rat) 92

Small molecules tested in S100B binding assays:

42 datapoints for 33 distinct small molecules


Name SBi1
Affinity Kd 35 +- 12 uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi2
Affinity Kd 4.5uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi3
Affinity Kd 120uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi4
Affinity Kd 2uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi5
Affinity Kd 4.5uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi6
Affinity Kd 18uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi7
Affinity Kd 8uM
Assay description Binding assay to S100B-Calcium; monitoring intrinsec Fluorescence of the cmp or a Trp near by. Compounds also tested in 1ari malignant melanoma cells. SBi2 and SBi7 didnt inhibit the cell growth; perhaps no cell penetrant; SBi3 more cell toxicity than expected; perhaps hitting other target
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/jm0497038
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name SBi132
Affinity Kd (HSQC NMR) 80 +- 20 uM
Assay description Binding of the 3 SM to Ca2+-S100B was assessed by monitoring the perturbations of backbone 1H-15N and 1H-13C HSQC NMR experiments. Kd obtained by HSQC titrations with the SM.
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/bi9005754
Doc title Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
PDB 3GK1 - (32A)

Name SBi279
Affinity Kd (HSQC NMR) 2.0 +- 1.0 mM
Assay description Binding of the 3 SM to Ca2+-S100B was assessed by monitoring the perturbations of backbone 1H-15N and 1H-13C HSQC NMR experiments. Kd obtained by HSQC titrations with the SM.
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/bi9005754
Doc title Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
PDB 3GK2 - (27A)

Name SBi523
Affinity Kd (HSQC NMR) 0.120 +- 0.03mM
Assay description Binding of the 3 SM to Ca2+-S100B was assessed by monitoring the perturbations of backbone 1H-15N and 1H-13C HSQC NMR experiments. Kd obtained by HSQC titrations with the SM.
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1021/bi9005754
Doc title Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.
PDB 3GK4 - (53A)

Name SBi1
Affinity Kd (ITC Zn2+; Ca2+S100B) 35 +- 12 uM
Assay description titration to Zn2+;Ca2+/S100B
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1016/j.jmb.2008.06.047
Doc title Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
PDB 3CR5 - (PNT)

Name SBi1
Affinity Kd (ITC Ca2+S100B) 35 +- 12 uM
Assay description titration to Ca2+/S100B
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://dx.doi.org/10.1016/j.jmb.2008.06.047
Doc title Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
PDB 3CR4 - (PNT)

Name CHEMBL1091628
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1093246
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1473392
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1478187
Affinity Ki < 1uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1478187
Affinity Active
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction by In situ proximity ligation assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1478187
Affinity IC50 = 2uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL1488628
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL185802
Affinity Kd = 2uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL187059
Affinity Kd = 120uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL2094307
Affinity IC50 = 8.4uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2094307
Affinity Ki = 5uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335380
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335381
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335382
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335383
Affinity Ki = 3.6uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335383
Affinity IC50 = 6.8uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335384
Affinity IC50 = 31.5uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335384
Affinity Ki = 25.1uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335385
Affinity INH < 50%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 50 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335386
Affinity Ki = 17.5uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335386
Affinity IC50 = 22.8uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL2335387
Affinity IC50 = 42.1uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL364410
Affinity Kd = 4.5uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL365434
Affinity Kd = 8.1uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL433966
Affinity Kd = 18.3uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL434915
Affinity Kd = 4.5uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL55
Affinity IC50 > 100uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL55
Affinity INH = 14.2%
Assay description Inhibition of human S100B/humanTAMRA-p53(367-388) interaction assessed as inhibition rate at 93 uM by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

Name CHEMBL55
Affinity Kd = 1uM
Assay description Binding to holo-S100B protein
-- Direct single protein target assigned: S100B_HUMAN (Expert curation) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/15456252
Doc title Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.
PDB None

Name CHEMBL67238
Affinity IC50 = 36.3uM
Assay description Inhibition of human S100B/human TAMRA-p53(367-388) interaction by fluorescence polarization assay
-- Direct single protein target assigned: S100B_HUMAN (Autocuration) --
DOI http://www.ncbi.nlm.nih.gov/pubmed/23375094
Doc title Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.
PDB None

32 PDB entries for S100B and its protein partners


1B4C
The use of dipolar couplings for determining the solution structure of rat apo-S100B(betabeta).

Entity type Code Description
polypeptide(L) P04631 PROTEIN (S-100 PROTEIN, BETA CHAIN)

1CFP
The solution structure of the bovine S100B protein dimer in the calcium-free state.

Entity type Code Description
polypeptide(L) P02638 S100B

1DT7
Structure of the negative regulatory domain of p53 bound to S100B(betabeta).

Entity type Code Description
polypeptide(L) P04631 S100 CALCIUM-BINDING PROTEIN
polypeptide(L) P04637 CELLULAR TUMOR ANTIGEN P53

1MHO
A novel mode of target recognition suggested by the 2.0 A structure of holo S100B from bovine brain.

Entity type Code Description
polypeptide(L) P02638 S-100 PROTEIN

1MQ1
A novel S100 target conformation is revealed by the solution structure of the Ca2+-S100B-TRTK-12 complex.

Entity type Code Description
polypeptide(L) P04271 S-100 protein, beta chain
polypeptide(L) P52907 F-actin capping protein alpha-1 subunit

1MWN
Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12

Entity type Code Description
polypeptide(L) P04631 S-100 protein, beta chain
polypeptide(L) P52907 F-actin capping protein alpha-1 subunit

1PSB
Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100 Target Specificity and Activation of the Kinase.

Entity type Code Description
polypeptide(L) P02638 S-100 protein, beta chain
polypeptide(L) Q15208 Ndr Ser/Thr kinase-like protein

1QLK
Solution structure of calcium-bound rat S100B(betabeta) as determined by nuclear magnetic resonance spectroscopy,.

Entity type Code Description
polypeptide(L) P04631 S-100 PROTEIN

1SYM
Solution structure of rat apo-S100B(beta beta) as determined by NMR spectroscopy.

Entity type Code Description
polypeptide(L) P04631 S100B

1UWO
A novel calcium-sensitive switch revealed by the structure of human S100B in the calcium-bound form.

Entity type Code Description
polypeptide(L) P04271 S100B

1XYD
Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy

Entity type Code Description
polypeptide(L) P04631 S-100 protein, beta chain

2H61
Structural and functional insights into RAGE activation by multimeric S100B.

Entity type Code Description
polypeptide(L) P04271 Protein S100-B
polypeptide(L) P04271 Protein S100-B
Ligand PG4 TETRAETHYLENE GLYCOL

2K7O
Refinement of the solution structure and dynamic properties of Ca(2+)-bound rat S100B.

Entity type Code Description
polypeptide(L) P04631 Protein S100-B

2PRU
Analysis of the structure of human apo-S100B at low temperature indicates a unimodal conformational distribution is adopted by calcium-free S100 proteins.

Entity type Code Description
polypeptide(L) P04271 Protein S100-B

3CR2
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B

3CR4
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand PNT 1,5-BIS(4-AMIDINOPHENOXY)PENTANE

3CR5
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand PNT 1,5-BIS(4-AMIDINOPHENOXY)PENTANE

3CZT
The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.

Entity type Code Description
polypeptide(L) P04271 Protein S100-B

3D0Y
The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.

Entity type Code Description
polypeptide(L) P04271 Protein S100-B
polypeptide(L) P04271 Protein S100-B
Ligand PG4 TETRAETHYLENE GLYCOL

3D10
The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.

Entity type Code Description
polypeptide(L) P04271 Protein S100-B
Ligand PGE TRIETHYLENE GLYCOL

3GK1
Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand 32A 2-[(5-HEX-1-YN-1-YLFURAN-2-YL)CARBONYL]-N-METHYLHYDRAZINECARBOTHIOAMIDE

3GK2
Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand 27A (Z)-2-[2-(4-METHYLPIPERAZIN-1-YL)BENZYL]DIAZENECARBOTHIOAMIDE

3GK4
Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand 53A ETHYL 5-{[(1R)-1-(ETHOXYCARBONYL)-2-OXOPROPYL]SULFANYL}-1,2-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE

3HCM
Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands

Entity type Code Description
polypeptide(L) P04271 Protein S100-B
Ligand S45 (3R)-3-[3-(4-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINE

3IQO
The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography

Entity type Code Description
polypeptide(L) P02638 Protein S100-B

3IQQ
The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
polypeptide(L) 3IQQ TRTK12 peptide, CapZ protein

3LK0
In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand Z80 3-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)-N,N-DIMETHYLPROPAN-1-AMINE

3LK1
In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand JKE 2-SULFANYLBENZOIC ACID

3LLE
In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand SGE 13-METHYL-13,14-DIHYDRO[1,3]BENZODIOXOLO[5,6-C][1,3]DIOXOLO[4,5-I]PHENANTHRIDINE

3RLZ
The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N

Entity type Code Description
polypeptide(L) P02638 Protein S100-B

3RM1
The effects of CapZ peptide (TRTK12) on the protein dynamics of S100B and S100B D63N

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
polypeptide(L) Q5E997 F-actin-capping protein subunit alpha-2

4FQO
Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.

Entity type Code Description
polypeptide(L) P02638 Protein S100-B
Ligand AZ3 4,4'-[HEPTANE-1,7-DIYLBIS(OXY)]DIBENZENECARBOXIMIDAMIDE