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6QBU
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Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2018-12-21
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
6QEN
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Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-01-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.195 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
5K0H
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Human factor Xa in complex with synthetic inhibitor benzylsulfonyl-dSer(Benzyl)-Gly-4-amidinobenzylamide
分子名称: CALCIUM ION, Coagulation factor X, O-benzyl-N-(benzylsulfonyl)-D-seryl-N-[(4-carbamimidoylphenyl)methyl]glycinamide
著者Steinmetzer, T.
登録日2016-05-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New substrate analogue inhibitors of factor Xa containing 4-amidinobenzylamide as P1 residue: part 1.
Medicinal Chemistry, 2, 2006
4LK4
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BU of 4lk4 by Molmil
Structure of Vibrio cholerae VesB protease
分子名称: VESB protease
著者Korotkov, K.V, Delarosa, J.R, Hol, W.G.J.
登録日2013-07-05
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional and Structural Characterization of Vibrio cholerae Extracellular Serine Protease B, VesB.
J.Biol.Chem., 289, 2014
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2016-04-17
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
5LHS
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The ligand free catalytic domain of murine urokinase-type plasminogen activator
分子名称: NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.047 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
4R0I
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CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR
分子名称: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ...
著者Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H.
登録日2014-07-31
公開日2015-02-11
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 O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach
Bioorg.Med.Chem.Lett., 25, 2015
2OQ5
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Crystal structure of DESC1, a new member of the type II transmembrane serine proteinases family
分子名称: BENZAMIDINE, Transmembrane protease, serine 11E
著者Kyrieleis, O.J.P, Huber, R, Madison, E.L, Jacob, U.
登録日2007-01-31
公開日2007-04-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal structure of the catalytic domain of DESC1, a new member of the type II transmembrane serine proteinase family.
Febs J., 274, 2007
1KGM
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SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI
分子名称: SERINE PROTEASE INHIBITOR I
著者Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
登録日2001-11-28
公開日2001-12-12
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
6PX5
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CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ...
著者Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E.
登録日2019-07-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
5XG4
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Crystal structure of uPA in complex with quercetin
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Urokinase-type plasminogen activator
著者Jiang, L, Huang, M.
登録日2017-04-11
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A structural mechanism of flavonoids in inhibiting serine proteases
Food Funct, 8, 2017
4NFF
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Human kallikrein-related peptidase 2 in complex with PPACK
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2
著者Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
登録日2013-10-31
公開日2014-10-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
4NFE
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Human kallikrein-related peptidase 2 in complex with benzamidine
分子名称: BENZAMIDINE, Kallikrein-2, SULFATE ION
著者Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
登録日2013-10-31
公開日2014-10-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
2ODY
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BU of 2ody by Molmil
Thrombin-bound boophilin displays a functional and accessible reactive-site loop
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Boophilin, PHOSPHATE ION, ...
著者Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2006-12-27
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Isolation, cloning and structural characterisation of boophilin, a multifunctional kunitz-type proteinase inhibitor from the cattle tick.
Plos One, 3, 2008
5SGA
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BU of 5sga by Molmil
Structures of product and inhibitor complexes of Streptomyces griseus protease a at 1.8 Angstroms resolution. a model for serine protease catalysis
分子名称: PROTEINASE A (SGPA), TETRAPEPTIDE ACE-PRO-ALA-PRO-TYR
著者Sielecki, A.R, James, M.N.G.
登録日1990-05-29
公開日1991-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis.
J.Mol.Biol., 144, 1980
1AHT
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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION
分子名称: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Chen, Z.
登録日1995-03-17
公開日1996-03-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution.
Arch.Biochem.Biophys., 322, 1995
4ISO
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BU of 4iso by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
分子名称: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, GLYCEROL, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4ISN
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Crystal Structure of Matriptase in complex with its inhibitor HAI-1
分子名称: GLUTATHIONE, Kunitz-type protease inhibitor 1, Suppressor of tumorigenicity 14 protein, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
1AD8
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COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY
分子名称: HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ...
著者Schreuder, H, Tardif, C, Malikayil, J.A.
登録日1997-02-24
公開日1997-11-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997
5DZU
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Structure of potato cathepsin D inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease inhibitor 11, ...
著者Guo, J, Erskine, P, Coker, A.R, Wood, S.P, Cooper, J.B.
登録日2015-09-26
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of a Kunitz-type potato cathepsin D inhibitor.
J.Struct.Biol., 192, 2015
6FPZ
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Inter-alpha-inhibitor heavy chain 1, D298A
分子名称: ACETATE ION, GLYCEROL, Inter-alpha-trypsin inhibitor heavy chain H1
著者Briggs, D.C, Day, A.J.
登録日2018-02-12
公開日2019-02-27
最終更新日2020-03-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inter-alpha-inhibitor heavy chain-1 has an integrin-like 3D structure mediating immune regulatory activities and matrix stabilization during ovulation
J.Biol.Chem., 2020
6FPY
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Inter-alpha-inhibitor heavy chain 1, wild type
分子名称: GLYCEROL, Inter-alpha-trypsin inhibitor heavy chain H1, MAGNESIUM ION
著者Briggs, D.C, Day, A.J.
登録日2018-02-12
公開日2019-02-27
最終更新日2020-03-18
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Inter-alpha-inhibitor heavy chain-1 has an integrin-like 3D structure mediating immune regulatory activities and matrix stabilization during ovulation
J.Biol.Chem., 2020
3UIR
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Crystal structure of the plasmin-textilinin-1 complex
分子名称: Plasmin light chain B, SULFATE ION, Textilinin-1
著者Guddat, L.W, Millers, E.K, de jersey, J, Lavin, M.F, Masci, P.M.
登録日2011-11-05
公開日2012-12-26
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (2.777 Å)
主引用文献The structure of human microplasmin in complex with textilinin-1, an aprotinin-like inhibitor from the Australian brown snake.
Plos One, 8, 2013
3FVF
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The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution
分子名称: 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2009-01-15
公開日2009-05-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
2J94
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X
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 (2.1 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

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