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1C2F
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RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
分子名称: BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Katz, B.A, Luong, C.
登録日1999-07-21
公開日2000-07-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1BMA
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BU of 1bma by Molmil
BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE
分子名称: (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D.
登録日1995-05-01
公開日1995-12-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
1NC6
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Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone
分子名称: (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ...
著者Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E.
登録日2002-12-04
公開日2003-09-23
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
1LO6
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Human Kallikrein 6 (hK6) active form with benzamidine inhibitor at 1.56 A resolution
分子名称: BENZAMIDINE, Kallikrein 6, MAGNESIUM ION
著者Bernett, M.J, Blaber, S.I, Scarisbrick, I.A, Dhanarajan, P, Thompson, S.M, Blaber, M.
登録日2002-05-06
公開日2002-05-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure and biochemical characterization of human kallikrein 6 reveals a trypsin-like kallikrein is expressed in the central nervous system
To be Published
2BD8
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BU of 2bd8 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak) and immersed in pH 9 buffer for 30 seconds
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD5
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Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5 and immersed in pH 9 buffer for 30 seconds
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD7
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Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0 (50 min soak)
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD3
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Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ala-NH2 at pH 5.0
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD4
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Porcine pancreatic elastase complexed with beta-casomorphin-7 and Lys-Ser at pH 5.0
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BB4
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Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-17
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDA
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BU of 2bda by Molmil
Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, NPI, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD2
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BU of 2bd2 by Molmil
Porcine pancreatic elastase complexed with beta-casomorphin-7 and Arg-Phe at pH 5.0
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
著者Liu, B, Schofield, C.J, Wilmouth, R.C.
登録日2005-10-20
公開日2006-05-30
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
1DWE
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BU of 1dwe by Molmil
Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
2XTY
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BU of 2xty by Molmil
Structure of QnrB1 (R167E-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein
分子名称: QNRB1
著者Vetting, M.W, Hegde, S.S, Park, C.H, Jacoby, G.A, Hooper, D.C, Blanchard, J.S.
登録日2010-10-13
公開日2010-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Qnrb1, a Plasmid-Mediated Fluoroquinolone Resistance Factor.
J.Biol.Chem., 286, 2011
2XTX
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BU of 2xtx by Molmil
Structure of QnrB1 (M102R-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein
分子名称: QNRB1, SULFATE ION
著者Vetting, M.W, Hegde, S.S, Park, C.H, Jacoby, G.A, Hooper, D.C, Blanchard, J.S.
登録日2010-10-12
公開日2010-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Qnrb1, a Plasmid-Mediated Fluoroquinolone Resistance Factor.
J.Biol.Chem., 286, 2011
1NN6
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Human Pro-Chymase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase
著者Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M.
登録日2003-01-12
公開日2003-03-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of human pro-chymase: a model for the activating transition of granule-associated proteases.
Biochemistry, 42, 2003
5KUC
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Crystal structure of trypsin activated Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E.
登録日2016-07-13
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
1CO7
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R117H mutant rat anionic trypsin complexed with bovine pancreatic trypsin inhibitor (BPTI)
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN II
著者Stamper, G.F, Ringe, D, Hedstrom, L.
登録日1999-06-07
公開日2003-01-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献

1VTP
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VACUOLAR TARGETING PEPTIDE FROM NA-PROPI
分子名称: VACUOLAR TARGETING PEPTIDE
著者Nielsen, K.J, Hill, J.M, Anderson, M.A, Craik, D.J.
登録日1995-11-14
公開日1996-03-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Synthesis and structure determination by NMR of a putative vacuolar targeting peptide and model of a proteinase inhibitor from Nicotiana alata.
Biochemistry, 35, 1996
1SFI
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BU of 1sfi by Molmil
High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds
分子名称: CALCIUM ION, SULFATE ION, TRYPSIN, ...
著者Luckett, S, Garcia, R.S, Barker, J.J, Konarev, A.V, Shewry, P, Clarke, A.R, Brady, R.L.
登録日1998-12-16
公開日1999-07-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-resolution structure of a potent, cyclic proteinase inhibitor from sunflower seeds.
J.Mol.Biol., 290, 1999
1TX8
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Bovine Trypsin complexed with AMSO
分子名称: 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen
著者Mesecar, A.D.
登録日2004-07-02
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
1ETT
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BU of 1ett by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
著者Bode, W, Brandstetter, H.
登録日1992-07-06
公開日1994-01-31
最終更新日2018-09-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1ETR
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BU of 1etr by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
分子名称: EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
著者Bode, W, Brandstetter, H.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1BT7
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THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
分子名称: NS3 SERINE PROTEASE, ZINC ION
著者Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R.
登録日1998-09-01
公開日1999-06-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
1GI2
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001

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