1MTU
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![BU of 1mtu by Molmil](/molmil-images/mine/1mtu) | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 1997-05-16 | Release date: | 1997-11-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
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1MTV
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![BU of 1mtv by Molmil](/molmil-images/mine/1mtv) | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 1997-05-16 | Release date: | 1997-11-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
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2BZA
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![BU of 2bza by Molmil](/molmil-images/mine/2bza) | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZYLAMINE | Descriptor: | BENZYLAMINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | Deposit date: | 1999-03-16 | Release date: | 1999-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. Proteins, 37, 1999
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1F0U
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![BU of 1f0u by Molmil](/molmil-images/mine/1f0u) | BOVINE TRYPSIN COMPLEXED WITH RPR128515 | Descriptor: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER, CALCIUM ION, SULFATE ION, ... | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | Deposit date: | 2000-05-17 | Release date: | 2000-09-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors. J.Med.Chem., 43, 2000
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1TNI
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![BU of 1tni by Molmil](/molmil-images/mine/1tni) | |
2TGP
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![BU of 2tgp by Molmil](/molmil-images/mine/2tgp) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN INHIBITOR, ... | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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1NC6
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![BU of 1nc6 by Molmil](/molmil-images/mine/1nc6) | Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone | Descriptor: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2002-12-04 | Release date: | 2003-09-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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1CE5
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![BU of 1ce5 by Molmil](/molmil-images/mine/1ce5) | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | Deposit date: | 1999-03-16 | Release date: | 1999-03-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine. Proteins, 37, 1999
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1MTS
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![BU of 1mts by Molmil](/molmil-images/mine/1mts) | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 1997-05-16 | Release date: | 1997-08-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
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1TPS
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![BU of 1tps by Molmil](/molmil-images/mine/1tps) | |
1TNL
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![BU of 1tnl by Molmil](/molmil-images/mine/1tnl) | |
1TPA
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![BU of 1tpa by Molmil](/molmil-images/mine/1tpa) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | ANHYDRO-TRYPSIN, BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION | Authors: | Huber, R, Bode, W, Deisenhofer, J. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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3BTT
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![BU of 3btt by Molmil](/molmil-images/mine/3btt) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-10 | Release date: | 2000-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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3BTQ
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![BU of 3btq by Molmil](/molmil-images/mine/3btq) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | Descriptor: | CALCIUM ION, PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-10 | Release date: | 2000-03-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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1V2T
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![BU of 1v2t by Molmil](/molmil-images/mine/1v2t) | Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1PPH
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![BU of 1pph by Molmil](/molmil-images/mine/1pph) | GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES | Descriptor: | 3-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide, CALCIUM ION, SULFATE ION, ... | Authors: | Bode, W, Turk, D. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes. FEBS Lett., 287, 1991
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3BTD
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![BU of 3btd by Molmil](/molmil-images/mine/3btd) | The Crystal Structures of the Complexes Between the Bovine Beta-Trypsin and Ten P1 Variants of BPTI. | Descriptor: | CALCIUM ION, PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-11 | Release date: | 2000-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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1MTW
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![BU of 1mtw by Molmil](/molmil-images/mine/1mtw) | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 1997-05-16 | Release date: | 1997-11-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
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1V2J
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![BU of 1v2j by Molmil](/molmil-images/mine/1v2j) | BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1OYQ
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![BU of 1oyq by Molmil](/molmil-images/mine/1oyq) | TRYPSIN INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | Authors: | Nar, H. | Deposit date: | 2003-04-07 | Release date: | 2003-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors Structure, 9, 2001
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3BTG
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![BU of 3btg by Molmil](/molmil-images/mine/3btg) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-10 | Release date: | 2000-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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1G36
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![BU of 1g36 by Molmil](/molmil-images/mine/1g36) | TRYPSIN INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Nar, H. | Deposit date: | 2000-10-23 | Release date: | 2001-10-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure, 9, 2001
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1K1P
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![BU of 1k1p by Molmil](/molmil-images/mine/1k1p) | BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, TRYPSIN, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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2PTC
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![BU of 2ptc by Molmil](/molmil-images/mine/2ptc) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | BETA-TRYPSIN, CALCIUM ION, TRYPSIN INHIBITOR | Authors: | Huber, R, Deisenhofer, J. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
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1XUF
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![BU of 1xuf by Molmil](/molmil-images/mine/1xuf) | TRYPSIN-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC, CALCIUM ION, TRYPSIN | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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