6ESM
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![BU of 6esm by Molmil](/molmil-images/mine/6esm) | Crystal structure of MMP9 in complex with inhibitor BE4. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-23 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.104 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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4XCT
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![BU of 4xct by Molmil](/molmil-images/mine/4xct) | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | 分子名称: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | 著者 | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | 登録日 | 2014-12-18 | 公開日 | 2015-04-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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8K5Y
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![BU of 8k5y by Molmil](/molmil-images/mine/8k5y) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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5I12
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![BU of 5i12 by Molmil](/molmil-images/mine/5i12) | Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | 分子名称: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | 登録日 | 2016-02-05 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
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4H1Q
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![BU of 4h1q by Molmil](/molmil-images/mine/4h1q) | Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | 登録日 | 2012-09-11 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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5UE3
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![BU of 5ue3 by Molmil](/molmil-images/mine/5ue3) | proMMP-9desFnII | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ... | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | 登録日 | 2016-12-29 | 公開日 | 2017-09-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
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4WZV
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![BU of 4wzv by Molmil](/molmil-images/mine/4wzv) | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | 分子名称: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | 登録日 | 2014-11-20 | 公開日 | 2015-08-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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4JIJ
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![BU of 4jij by Molmil](/molmil-images/mine/4jij) | Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | 登録日 | 2013-03-06 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9. Chem.Biol., 21, 2014
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8K5V
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![BU of 8k5v by Molmil](/molmil-images/mine/8k5v) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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5TH6
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![BU of 5th6 by Molmil](/molmil-images/mine/5th6) | Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9) | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ZINC ION | 著者 | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | 登録日 | 2016-09-29 | 公開日 | 2017-03-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9. J. Biol. Chem., 292, 2017
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4H3X
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![BU of 4h3x by Molmil](/molmil-images/mine/4h3x) | Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | 登録日 | 2012-09-14 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.764 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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5UE4
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![BU of 5ue4 by Molmil](/molmil-images/mine/5ue4) | proMMP-9desFnII complexed to JNJ0966 INHIBITOR | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ... | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | 登録日 | 2016-12-29 | 公開日 | 2017-09-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation. J. Biol. Chem., 292, 2017
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5CUH
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![BU of 5cuh by Molmil](/molmil-images/mine/5cuh) | Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | 分子名称: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | 登録日 | 2015-07-24 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models. Eur.J.Med.Chem., 111, 2016
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4JQG
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![BU of 4jqg by Molmil](/molmil-images/mine/4jqg) | Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate with a fluorine atom. | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. | 登録日 | 2013-03-20 | 公開日 | 2014-03-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | 主引用文献 | Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9. Chem.Biol., 21, 2014
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8K5X
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![BU of 8k5x by Molmil](/molmil-images/mine/8k5x) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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4H82
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![BU of 4h82 by Molmil](/molmil-images/mine/4h82) | Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Antoni, C, Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | 登録日 | 2012-09-21 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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4HMA
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![BU of 4hma by Molmil](/molmil-images/mine/4hma) | Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | 分子名称: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | 登録日 | 2012-10-18 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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1ITV
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![BU of 1itv by Molmil](/molmil-images/mine/1itv) | Dimeric form of the haemopexin domain of MMP9 | 分子名称: | MMP9, SULFATE ION | 著者 | Cha, H, Kopetzki, E, Huber, R, Lanzendoerfer, M, Brandstetter, H. | 登録日 | 2002-02-11 | 公開日 | 2002-09-04 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis of the adaptive molecular recognition by MMP9. J.Mol.Biol., 320, 2002
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2OVZ
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![BU of 2ovz by Molmil](/molmil-images/mine/2ovz) | MMP-9 active site mutant with phosphinate inhibitor | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | 著者 | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | 登録日 | 2007-02-15 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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8K5W
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![BU of 8k5w by Molmil](/molmil-images/mine/8k5w) | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | 分子名称: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | 登録日 | 2023-07-24 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation. Bioorg.Med.Chem.Lett., 97, 2023
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2OW0
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![BU of 2ow0 by Molmil](/molmil-images/mine/2ow0) | MMP-9 active site mutant with iodine-labeled carboxylate inhibitor | 分子名称: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | 著者 | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | 登録日 | 2007-02-15 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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2OVX
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![BU of 2ovx by Molmil](/molmil-images/mine/2ovx) | MMP-9 active site mutant with barbiturate inhibitor | 分子名称: | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | 登録日 | 2007-02-15 | 公開日 | 2007-06-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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1GKD
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![BU of 1gkd by Molmil](/molmil-images/mine/1gkd) | MMP9 active site mutant-inhibitor complex | 分子名称: | 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, 92 KDA TYPE IV COLLAGENASE, ... | 著者 | Rowsell, S, Pauptit, R.A. | 登録日 | 2001-08-10 | 公開日 | 2002-05-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor J.Mol.Biol., 319, 2002
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2OW1
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![BU of 2ow1 by Molmil](/molmil-images/mine/2ow1) | MMP-9 active site mutant with trifluoromethyl hydroxamate inhibitor | 分子名称: | (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | 登録日 | 2007-02-15 | 公開日 | 2007-06-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. J.Mol.Biol., 371, 2007
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1GKC
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![BU of 1gkc by Molmil](/molmil-images/mine/1gkc) | MMP9-inhibitor complex | 分子名称: | 92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ... | 著者 | Rowsell, S, Pauptit, R.A. | 登録日 | 2001-08-10 | 公開日 | 2002-05-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor J.Mol.Biol., 319, 2002
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