8H78
 
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kamitani, M, Takeuchi, T, Mima, M. | | Deposit date: | 2022-10-19 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
J.Med.Chem., 66, 2023
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7XJO
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7XGJ
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-05 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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1EZU
 | | ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN | | Descriptor: | CALCIUM ION, ECOTIN, TRYPSIN II, ... | | Authors: | Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J. | | Deposit date: | 2000-05-11 | | Release date: | 2000-06-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
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1EZS
 | | CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II | | Descriptor: | CALCIUM ION, ECOTIN, TRYPSIN II, ... | | Authors: | Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J. | | Deposit date: | 2000-05-11 | | Release date: | 2000-06-23 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
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6KZX
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
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6L01
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
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6KZZ
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
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3AYU
 | | Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor | | Descriptor: | 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ... | | Authors: | Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
J.Biol.Chem., 2011
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7C7O
 | | Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
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3VV1
 | | Crystal Structure of Caenorhabditis elegans galectin LEC-6 | | Descriptor: | MAGNESIUM ION, Protein LEC-6, beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose | | Authors: | Makyio, H, Takeuchi, T, Tamura, M, Nishiyama, K, Takahashi, H, Natsugari, H, Arata, Y, Kasai, K, Yamada, Y, Wakatsuki, S, Kato, R. | | Deposit date: | 2012-07-10 | | Release date: | 2013-05-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of preferential binding of fucose-containing saccharide by the Caenorhabditis elegans galectin LEC-6
Glycobiology, 23, 2013
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3AGR
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6KZV
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2RQ5
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7X93
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7X95
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7X94
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7X96
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7Y6L
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7Y6N
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7X91
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7X8W
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7X8Y
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7X8Z
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7X90
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