Current Protein Identity:P08254 New Search
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
1B3D STROMELYSIN-1 Deposited 1998-12-09 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 S27 N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4;20-24% PEG 8000, 2.5% 2-PROPANOL, 10 MM CACL2 0.1 M TRIS-HCL BUFFER, PH 7.5-8.5, pH 7.4
Resolution 2.30 Å R-free 0.263
1B8Y X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY Deposited 1999-02-03 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–266(167 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 IN7 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;pH 6.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.214
1B8Y X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY Deposited 1999-02-03 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–266(167 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 IN7 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;pH 6.5, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.214
1BIW DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS Deposited 1998-06-19 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 S80 N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;10 MG/ML PROTEIN IN 20-24% PEG 8000, 2.5% 2-PROPANOL, 10MM CACL2 AND 0.1M TRIS HCL BUFFER, PH 7.5-8.0
Resolution 2.50 Å R-free 0.275
1BM6 SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 COMPLEXED TO A POTENT NON-PEPTIDIC INHIBITOR, NMR, 20 STRUCTURES Deposited 1998-07-29 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa)
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 HAV HYDROXYAMINOVALINE × 1 3MP 3-METHYLPYRIDINE × 1 MSB 1-METHYLOXY-4-SULFONE-BENZENE × 1 SOLUTION NMR
NMR measurement conditions pH 6.8;310 K
Resolution not provided
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;pH 7.5
Resolution 2.30 Å R-free 0.294
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;pH 7.5
Resolution 2.30 Å R-free 0.294
1BQO DISCOVERY OF POTENT, ACHIRAL MATRIX METALLOPROTEINASE INHIBITORS Deposited 1998-08-17 Assembly 3 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 9 N25 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;pH 7.5
Resolution 2.30 Å R-free 0.294
1C3I HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-27 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;295 K;PEG, POTASSIUM CHLORIDE, CALCIUM CHLORIDE, CACODYLATE, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.83 Å
1C3I HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-27 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;295 K;PEG, POTASSIUM CHLORIDE, CALCIUM CHLORIDE, CACODYLATE, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.83 Å
1C8T HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 Deposited 1999-07-29 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 103–269(167 aa) Fragment:CATALYTIC DOMAIN
Chain B 103–269(167 aa) Fragment:CATALYTIC DOMAIN
Mutation:E202Q, S252P Mutation:E202Q, S252P ZN ZINC ION × 4 CA CALCIUM ION × 6 TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;295 K;PEG, potassium chloride, calcium chloride, cacodylate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å
1CAQ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-02-23 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5;pH 6.5
Resolution 1.80 Å R-free 0.225
1CAQ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-02-23 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5;pH 6.5
Resolution 1.80 Å R-free 0.225
1CIZ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-04-06 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SO4 SULFATE ION × 1 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5;pH 6.5
Resolution 1.64 Å R-free 0.245
1CIZ X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY Deposited 1999-04-06 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SO4 SULFATE ION × 2 DPS 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5;pH 6.5
Resolution 1.64 Å R-free 0.245
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa)
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1CQR CRYSTAL STRUCTURE OF THE STROMELYSIN CATALYTIC DOMAIN AT 2.0 A RESOLUTION Deposited 1999-08-11 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa)
Chain B 100–272(173 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;20-24% PEG 8000, 2.5% 2-propanol, 10mM CaCl2, 0.1 M Tris-HCL buffer, VAPOR DIFFUSION, HANGING DROP, temperature 298.K
Resolution 2.00 Å R-free 0.266
1D5J CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR. Deposited 1999-10-07 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MM3 N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.60 Å R-free 0.257
1D5J CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR. Deposited 1999-10-07 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MM3 N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-3(S)-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, NACL, MGCL2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.60 Å R-free 0.257
1D7X CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR. Deposited 1999-10-20 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 SPC N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, SODIUM CHLORIDE, MAGNESIUM CHLORIDE, TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.227
1D8F CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. Deposited 1999-10-22 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.252
1D8F CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. Deposited 1999-10-22 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 SPI N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.252
1D8M CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR Deposited 1999-10-25 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.44 Å R-free 0.315
1D8M CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR Deposited 1999-10-25 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 BBH 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.44 Å R-free 0.315
1G05 HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS Deposited 2000-10-05 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.45 Å R-free 0.293
1G05 HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS Deposited 2000-10-05 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 BBH 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, sodium chloride, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.45 Å R-free 0.293
1G49 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2000-10-26 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, NaCl, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 1.90 Å R-free 0.253
1G49 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2000-10-26 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 111 (1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;298 K;PEG 6000, NaCl, MgCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 1.90 Å R-free 0.253
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 83–250(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 83–250(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1G4K X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin Deposited 2000-10-27 Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain C 83–250(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 HQQ 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;PEG-MME 5000, ammonium sulfate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.284
1HFS CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004 Deposited 1997-02-13 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 105–264(160 aa)
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 L04 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å R-free 0.217
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1HY7 A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 Deposited 2001-01-18 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Chain B 100–272(173 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 100-272
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 MBS R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;PEG6000, sodium chloride, magnesium chloride, Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.220
1OO9 Orientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar Couplings Deposited 2003-03-03 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.6;310 K;Ionic strength (raw mmCIF value) 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide;Pressure ambient
NMR measurement conditions pH 6.7;307 K;Ionic strength (raw mmCIF value) 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2;1mM Sodium Azide;Pressure ambient
NMR sample composition 0.8mM MMP-3 U-15N, 13C; 0.8mM N-TIMP-1; 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide; 93% H2O, 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.5mM MMP-3 U-2H, 15N; 0.5mM N-TIMP-1; 20mM Tris-d11; 100 mM NaCl; 15 mM CaCl2; 3uM ZnCl2; 1mM Sodium Azide; 93% H2O, 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.66mM N-TIMP-1 U-15N, 13C; 0.66mM MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM MMP-3 (E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM (15N-IV, 15N, 13C-L)MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O | 93% H2O/7% D2O
NMR sample composition 0.3mM 98% 2H/15N N-TIMP-1; 0.3mM (15N-IV, 15N, 13C-L)MMP-3(E202Q); 20mM Tris-d11; 125mM NaCl; 15 mM CaCl2; 50uM ZnCl2; 1mM Sodium Azide; 93% H2O; 7% D2O 5% PEG(C12E6)/1-hexanol | 93% H2O; 7% D2O 5% PEG(C12E6)/1-hexanol
Resolution not provided
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain C 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain D 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 5 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Chain C 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIA CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 6 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Chain D 106–267(162 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 89-250
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.240
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 106–266(161 aa) Fragment:CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 106–266(161 aa) Fragment:CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain C 106–266(161 aa) Fragment:CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.270
1QIC CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN Deposited 1999-06-11 Assembly 4 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain D 106–266(161 aa) Fragment:CATALYTIC DOMAIN RESIDUES 89-249
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6;pH 6.0
Resolution 2.00 Å R-free 0.270
1SLM CRYSTAL STRUCTURE OF FIBROBLAST STROMELYSIN-1: THE C-TRUNCATED HUMAN PROENZYME Deposited 1995-08-03 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 18–272(255 aa) Fragment:PROPEPTIDE, CATALYTIC
Not recorded ZN ZINC ION × 4 CA CALCIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.8;277 K;HANGING DROP VAPOR DIFFUSION. 2.0 MICROLITER DROPS OF PROENZYME SOLUTION (10 MG/ML PROTEIN, 5.0 MILLIMOLAR CALCIUM CHLORIDE, 50 MICROMOLAR ZINC ACETATE, 0.02% SODIUM AZIDE, 20 MILLIMOLAR MES, PH 6.5, 0.02 MOLE INHIBITOR PER MOLE PROENZYME) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (14% PEG-6000, 5% SATURATED SODIUM CITRATE, 0.02% SODIUM AZIDE, 0.1 M CACODYLATE, PH 5.8) AND INCUBATED AT 4 DEGREES CENTIGRADE., vapor diffusion - hanging drop, temperature 277K
Resolution 1.90 Å R-free 0.256
1SLN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-702,842 Deposited 1995-08-03 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 255
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 8MI N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.54;HANGING DROP VAPOR DIFFUSION. 1.5 MICROLITER DROPS OF ENZYME:INHIBITOR SOLUTION (9 MG/ML ENZYME, 1.5 MILLIMOLAR INHIBITOR, 5.0 MILLIMOLAR CALCIUM CHLORIDE, 0.02% SODIUM AZIDE, 20 MILLIMOLAR TRIS HYDROCHLORIDE, PH 7.5) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (10% PEG-6000, 15% SATURATED AMMONIUM ACETATE 0.02% SODIUM AZIDE, 0.1 M CACODYLATE, PH 5.54) AND INCUBATED AT ROOM TEMPERATURE., vapor diffusion - hanging drop
Resolution 2.27 Å R-free 0.299
1UEA MMP-3/TIMP-1 COMPLEX Deposited 1997-06-06 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1UEA MMP-3/TIMP-1 COMPLEX Deposited 1997-06-06 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain C 100–272(173 aa) Fragment:CATALYTIC DOMAIN
Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 CA CALCIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1UMS STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR BOUND, PH 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE; NMR ENSEMBLE OF 20 STRUCTURES Deposited 1995-10-31 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–273(174 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 256
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 1 0DS N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide × 1 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1UMT Stromelysin-1 catalytic domain with hydrophobic inhibitor bound, ph 7.0, 32oc, 20 mm cacl2, 15% acetonitrile; nmr average of 20 structures minimized with restraints Deposited 1995-10-31 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–273(174 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 256
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 1 0DS N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-phenylalaninamide × 1 SOLUTION NMR
NMR measurement conditions pH 7;305 K;Pressure ambient
NMR sample composition 1.0-1.5 mM [U-99% 13C; U-99% 15N] double labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.6 mM [U-99% 13C; U-99% 15N] double labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
NMR sample composition 0.6 mM [U-99% 15N] N15 labeled SCD, 10 mM Tris-d11.HCl, 20 mM CaCl2, 15% acetonitrile-d3, 92% H2O/8% D2O | 92% H2O/8% D2O
Resolution not provided
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–264(165 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Assembly 2 Protein homooligomer Homooligomer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
Chain A 100–264(165 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 9 CA CALCIUM ION × 9 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
1USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-142372 Deposited 1998-06-09 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–264(165 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 6 CA CALCIUM ION × 6 IN9 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 1.80 Å
2D1O Stromelysin-1 (MMP-3) complexed to a hydroxamic acid inhibitor Deposited 2005-08-30 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–270(171 aa) Fragment:C-Terminal catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 FA4 SM-25453 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;PEG400, MPD, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.02 Å R-free 0.206
2D1O Stromelysin-1 (MMP-3) complexed to a hydroxamic acid inhibitor Deposited 2005-08-30 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–270(171 aa) Fragment:C-Terminal catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 FA4 SM-25453 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;PEG400, MPD, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.02 Å R-free 0.206
2JNP Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of N-isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) Deposited 2007-01-30 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 105–265(161 aa) Fragment:residues 88-248
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 SOLUTION NMR
NMR measurement conditions pH 8;298 K;Ionic strength (raw mmCIF value) Tris 0.02, NaCl 3;Pressure ambient
NMR sample composition 1 mM MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-98% 13C; U-98% 15N] MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 15N] MMP3, 20 mM TRIS, 300 mM sodium chloride, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2JT5 solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of n-hydroxy-2-[n-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88) Deposited 2007-07-20 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 105–265(161 aa) Fragment:sequence database residues 105-265
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 JT5 N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide × 1 SOLUTION NMR
NMR measurement conditions pH 8;298 K;Ionic strength (raw mmCIF value) 300;Pressure ambient
NMR sample composition 1 mM [U-98% 15N] protein, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2JT6 Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII) Deposited 2007-07-23 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 105–265(161 aa) Fragment:sequence database residues 105-265
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 2 JT6 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide × 1 SOLUTION NMR
NMR measurement conditions pH 8;298 K;Ionic strength (raw mmCIF value) 300;Pressure ambient
NMR sample composition 1 mM [U-98% 15N] entity_1, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2SRT CATALYTIC DOMAIN OF HUMAN STROMELYSIN-1 AT PH 5.5 AND 40OC COMPLEXED WITH INHIBITOR Deposited 1995-03-22 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa)
Not recorded ZN ZINC ION × 2 8MI N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE × 1 SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2USN CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THIADIAZOLE INHIBITOR PNU-141803 Deposited 1998-06-09 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–264(165 aa) Fragment:CATALYTIC DOMAIN RESIDUES 83 - 247
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 IN8 [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;HANGING DROP VAPOR DIFFUSION., pH 7.0, vapor diffusion - hanging drop
Resolution 2.20 Å
3OHL catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide Deposited 2010-08-17 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–266(167 aa) Fragment:UNP residues 100-266
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 OHL N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 29% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.36 Å R-free 0.283
3OHL catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide Deposited 2010-08-17 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–266(167 aa) Fragment:UNP residues 100-266
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 OHL N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 29% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.36 Å R-free 0.283
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–268(169 aa) Fragment:CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–268(169 aa) Fragment:CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
3OHO catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)acetamide Deposited 2010-08-17 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–268(169 aa) Fragment:CATALYTIC DOMAIN (UNP Residues 100-268)
Not recorded CA CALCIUM ION × 6 ZN ZINC ION × 4 Z79 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.264
3USN STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR IPNU-107859, NMR, 1 STRUCTURE Deposited 1998-06-18 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–267(168 aa) Fragment:CATALYTIC DOMAIN, RESIDUES 83(1) - 250(168)
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 ATT 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE × 1 SOLUTION NMR
NMR measurement conditions pH 6.6;300 K
Resolution not provided
4DPE Structure of MMP3 complexed with a platinum-based inhibitor. Deposited 2012-02-13 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:unp residues 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.96 Å R-free 0.231
4DPE Structure of MMP3 complexed with a platinum-based inhibitor. Deposited 2012-02-13 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:unp residues 100-272
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 5 CL CHLORIDE ION × 2 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;293 K;25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.96 Å R-free 0.231
4G9L Structure of MMP3 complexed with NNGH inhibitor. Deposited 2012-07-24 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:catalytic domain (unp residues 100-272)
Not recorded ZN ZINC ION × 1 CA CALCIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;293 K;25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.88 Å R-free 0.270
4G9L Structure of MMP3 complexed with NNGH inhibitor. Deposited 2012-07-24 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:catalytic domain (unp residues 100-272)
Not recorded ZN ZINC ION × 3 CA CALCIUM ION × 3 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5;293 K;25-30% PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 1.88 Å R-free 0.270
4JA1 Structure of MMP3 complexed with a platinum-based inhibitor Deposited 2013-02-18 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 100–272(173 aa) Fragment:catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;Protein 7-15mg/ml, 25-30% (w/v) PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.96 Å R-free 0.244
4JA1 Structure of MMP3 complexed with a platinum-based inhibitor Deposited 2013-02-18 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 100–272(173 aa) Fragment:catalytic domain
Not recorded ZN ZINC ION × 2 CA CALCIUM ION × 3 PT PLATINUM (II) ION × 2 CL CHLORIDE ION × 3 NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.5;298 K;Protein 7-15mg/ml, 25-30% (w/v) PEG 8000, 10 mM CaCl2, 100 mM TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.96 Å R-free 0.244
6MAV Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2018-08-28 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–267(168 aa)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.5;298 K;0.1 M Ammonium Acetate 0.1 M Bis-Tris: HCl, pH 5.5, 17 % (w/v) PEG 10,000
Resolution 2.37 Å R-free 0.298
6N9D Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2018-12-03 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–264(165 aa)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;0.2 M Sodium Acetate, 0.1 M Sodium Cacodylate: HCl, pH 6.5 18 % (w/v) PEG 8000
Resolution 2.67 Å R-free 0.258
7S7L Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66S/E67Y/L133N/S155L) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2021-09-16 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:Catalytic domain (UNP residues 100-272)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 CL CHLORIDE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;310 K;0.2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, 25% w/v PEG 3350 Anatrace-Microlytic Top96 #65
Resolution 2.34 Å R-free 0.239
7S7M Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/M66D/T98G/P131S/Q153N) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) Deposited 2021-09-16 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 100–272(173 aa) Fragment:Catalytic domain (UNP residues 100-272)
Not recorded CA CALCIUM ION × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.5;310 K;0.1 M ammonium acetate, 0.1 M Bis-Tris-HCl, pH 5.5, 17% w/v PEG10000
Resolution 3.00 Å R-free 0.248