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4JZ1
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Crystal Structure of Matriptase in complex with Inhibitor
分子名称: 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
著者Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
登録日2013-04-02
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
4GVU
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Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Lyngbyastatin 7, ...
著者Salvador, L.A, Taori, K, Biggs, J.S, Jakoncic, J, Ostrov, D, Paul, V.J, Luesch, H.
登録日2012-08-31
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.
J.Med.Chem., 56, 2013
1A3E
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
著者Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
登録日1998-01-21
公開日1998-06-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
1A3B
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ...
著者Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J.
登録日1998-01-20
公開日1998-06-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
5MT4
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COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
分子名称: 2-[(phenylmethyl)carbamoylamino]benzoic acid, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
8BP8
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SPA of Trypsin untreated Rotavirus TLP spike
分子名称: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
著者Shah, P.N.M, Stuart, D.I.
登録日2022-11-16
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
5MT0
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COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR
分子名称: 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
5LPF
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Kallikrein-related peptidase 10
分子名称: Kallikrein-10, SULFATE ION
著者Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H.
登録日2016-08-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
5LPE
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Kallikrein-related peptidase 10 complex with Zn2+
分子名称: Kallikrein-10, SULFATE ION, ZINC ION
著者Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H.
登録日2016-08-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
7NAM
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LRP6_E1 in complex with Lr-EET-3.5
分子名称: Low-density lipoprotein receptor-related protein 6, SODIUM ION, Trypsin inhibitor 2, ...
著者Hansen, S, Hannoush, R.N.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directed evolution identifies high-affinity cystine-knot peptide agonists and antagonists of Wnt/ beta-catenin signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
1AWF
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NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
分子名称: ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
著者Jhoti, H, Cleasby, A, Wonacott, A.
登録日1997-10-02
公開日1998-10-28
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
4YM9
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Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102
分子名称: 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ...
著者Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M.
登録日2015-03-06
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.
ChemMedChem, 11, 2016
1M20
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Crystal Structure of F35Y Mutant of Trypsin-solubilized Fragment of Cytochrome b5
分子名称: Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
著者Yao, P, Wu, J, Wang, Y.-H, Sun, B.-Y, Xia, Z.-X, Huang, Z.-X.
登録日2002-06-20
公開日2002-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystallography, CD and kinetic studies revealed the essence of the abnormal behaviors of the cytochrome b5 Phe35-->Tyr mutant.
Eur.J.Biochem., 269, 2002
1M59
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Crystal Structure of P40V Mutant of Trypsin-solubilized Fragment of Cytochrome b5
分子名称: Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Z.-Q, Wu, J, Wang, Y.-H, Qian, W, Xie, Y, Xia, Z.-X, Huang, Z.-X.
登録日2002-07-09
公開日2003-03-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Proline40 is essential to maintaining cytochrome b5 stability and its electron transfer with cytochrome c
Chin.J.Chem., 20, 2002
5ABW
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Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases
分子名称: 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者von Nussbaum, F, Li, V.M, Schaefer, M.
登録日2015-08-10
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
4Y76
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Factor Xa complex with GTC000401
分子名称: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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Factor Xa complex with GTC000406
分子名称: (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y7B
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Factor Xa complex with GTC000441
分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopy rrolidin-3-yl}naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Factor Xa complex with GTC000441
to be published
4Y71
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Factor Xa complex with GTC000398
分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Factor Xa complex with GTC000398
To be Published
4Y7A
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Factor Xa complex with GTC000422
分子名称: CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ...
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Factor Xa complex with GTC000422
to be published
2F9P
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Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant D216G in Complex with Leupeptin
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ...
著者Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E.
登録日2005-12-06
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
2F9N
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Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant K192Q/D216G in Complex with Leupeptin
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ...
著者Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E.
登録日2005-12-06
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
3K2U
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Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ...
著者Ganesan, R, Eigenbrot, C, Shia, S.
登録日2009-09-30
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unraveling the allosteric mechanism of serine protease inhibition by an antibody.
Structure, 17, 2009
2PUQ
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Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
分子名称: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
著者Bjelke, J.R, Rasmussen, H.B.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
2J95
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
登録日2006-11-02
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007

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