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PDB: 11 件

8H78
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BU of 8h78 by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
分子名称: (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, ...
著者Kamitani, M, Takeuchi, T, Mima, M.
登録日2022-10-19
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7C7O
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Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F.
登録日2020-05-26
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
1EZU
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ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN
分子名称: CALCIUM ION, ECOTIN, TRYPSIN II, ...
著者Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J.
登録日2000-05-11
公開日2000-06-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
1EZS
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CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II
分子名称: CALCIUM ION, ECOTIN, TRYPSIN II, ...
著者Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J.
登録日2000-05-11
公開日2000-06-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
7XJO
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BU of 7xjo by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kamitani, M, Mima, M, Takeuchi, T.
登録日2022-04-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7XGJ
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BU of 7xgj by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
分子名称: CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ...
著者Kamitani, M, Mima, M, Takeuchi, T.
登録日2022-04-05
公開日2022-06-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
6KZX
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BU of 6kzx by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
6L01
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Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
6KZZ
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BU of 6kzz by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
3AYU
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BU of 3ayu by Molmil
Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor
分子名称: 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ...
著者Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S.
登録日2011-05-17
公開日2011-08-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
J.Biol.Chem., 2011
3VV1
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Crystal Structure of Caenorhabditis elegans galectin LEC-6
分子名称: MAGNESIUM ION, Protein LEC-6, beta-D-galactopyranose-(1-4)-alpha-L-fucopyranose
著者Makyio, H, Takeuchi, T, Tamura, M, Nishiyama, K, Takahashi, H, Natsugari, H, Arata, Y, Kasai, K, Yamada, Y, Wakatsuki, S, Kato, R.
登録日2012-07-10
公開日2013-05-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of preferential binding of fucose-containing saccharide by the Caenorhabditis elegans galectin LEC-6
Glycobiology, 23, 2013

227561

件を2024-11-20に公開中

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