1YP9
 
 | | Trypsin Inhibitor Complex | | Descriptor: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | | Deposit date: | 2005-01-31 | | Release date: | 2006-01-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates
Angew.Chem.Int.Ed.Engl., 45, 2006
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3UUZ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-11-29 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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1YYY
 | | Trypsin inhibitors with rigid tripeptidyl aldehydes | | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | | Deposit date: | 1998-06-03 | | Release date: | 1999-06-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
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1QL7
 | | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 1999-08-24 | | Release date: | 2000-08-25 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ph-Dependent Binding Modes Observed in Trypsin Crystals: Lessons for the Structure-Based Drug Design
Chembiochem, 3, 2002
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1SMF
 | | Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor | | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN | | Authors: | Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C. | | Deposit date: | 1992-10-24 | | Release date: | 1994-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
J.Biochem.(Tokyo), 116, 1994
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2A7H
 | | On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin | | Authors: | Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S. | | Deposit date: | 2005-07-05 | | Release date: | 2005-07-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
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3OTJ
 | | A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement | | Descriptor: | CALCIUM ION, Cationic trypsin, Pancreatic trypsin inhibitor, ... | | Authors: | Kawamura, K, Yamada, T, Kurihara, K, Tamada, T, Kuroki, R, Tanaka, I, Takahashi, H, Niimura, N. | | Deposit date: | 2010-09-12 | | Release date: | 2011-01-26 | | Last modified: | 2017-11-08 | | Method: | NEUTRON DIFFRACTION (2.15 Å), X-RAY DIFFRACTION | | Cite: | X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex.
Acta Crystallogr.,Sect.D, 67, 2011
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6DZF
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1AQ7
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6FID
 | | Bovine trypsin solved by S-SAD on ID30B | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | McCarthy, A.A, Mueller-Dieckmann, C. | | Deposit date: | 2018-01-18 | | Release date: | 2018-02-07 | | Last modified: | 2018-08-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
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1XUH
 | | TRYPSIN-KETO-BABIM-CO+2, PH 8.2 | | Descriptor: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE, CALCIUM ION, COBALT (II) ION, ... | | 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: | 1998-11-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
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8UO7
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4TPI
 | | THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | | Authors: | Bode, W, Walter, J. | | Deposit date: | 1985-06-11 | | Release date: | 1985-11-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor
Eur.J.Biochem., 144, 1984
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1K1I
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 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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1BTP
 | | UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX | | Descriptor: | BETA-TRYPSIN, CALCIUM ION | | Authors: | Odagaki, Y, Nakai, H, Senokuchi, K, Kawamura, M, Hamanaka, N, Nakamura, M, Tomoo, K, Ishida, T. | | Deposit date: | 1995-08-11 | | Release date: | 1996-01-29 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique binding of a novel synthetic inhibitor, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]- N-allylglycine methanesulfonate, to bovine trypsin, revealed by the crystal structure of the complex.
Biochemistry, 34, 1995
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1G9I
 | | CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE | | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... | | Authors: | Zhu, G, Huang, Q, Zhu, Y, Li, Y, Chi, C, Tang, Y. | | Deposit date: | 2000-11-24 | | Release date: | 2000-12-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane.
Biochim.Biophys.Acta, 1546, 2001
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3M35
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1K1J
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 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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1K1M
 | | BOVINE TRYPSIN-INHIBITOR COMPLEX | | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 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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1LQE
 | | CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79. | | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2002-05-10 | | Release date: | 2003-05-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides
as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa.
J.Med.Chem., 45, 2002
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3VEQ
 | | A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Majumder, S, Khamrui, S, Dasgupta, J. | | Deposit date: | 2012-01-09 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
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7VO7
 | | Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution. | | Descriptor: | Bowman-Birk type proteinase inhibitor, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ahmad, M.S, Akbar, Z, Choudhary, M.I. | | Deposit date: | 2021-10-12 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insight into the structural basis of the dual inhibitory mode of Lima bean (Phaseolus lunatus) serine protease inhibitor.
Proteins, 91, 2023
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2CMY
 | | Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, GLYCEROL, ... | | Authors: | Conners, R, Yardley, J.L, Konarev, A, Shewry, P, Brady, R.L. | | Deposit date: | 2006-05-16 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.).
J.Biol.Chem., 282, 2007
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3RDZ
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8IZH
 | | Crystal structure of trypsin-aminoguanidine complex at 2.30 Angstroms resolution | | Descriptor: | AMINOGUANIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ahmad, M.S, Kalam, N, Akbar, Z, Rasheed, S, Choudhary, M.I. | | Deposit date: | 2023-04-07 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease.
Biochem.Biophys.Res.Commun., 733, 2024
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