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4NIX
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BU of 4nix by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Schoepfel, M, Parthier, C, Stubbs, M.T.
Deposit date:2013-11-08
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
2BY9
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BU of 2by9 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
7FAG
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BU of 7fag by Molmil
Room temperature structure of elastase with high-strength agarose hydrogel
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Sugiyama, S, Kakinouchi, K, Adachi, H, Murata, M, Mori, Y.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Room temperature structure of elastase with high-strength agarose hydrogel
To Be Published
2BY8
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BU of 2by8 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY5
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BU of 2by5 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
Deposit date:2005-07-29
Release date:2006-02-06
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
4ABE
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BU of 4abe by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: (3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
4K1E
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BU of 4k1e by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ...
Authors:Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
2CF8
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BU of 2cf8 by Molmil
Complex of recombinant human thrombin with an inhibitor
Descriptor: 4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Schweizer, E, Hoffmann-Roeder, A, Olsen, J.A, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F.
Deposit date:2006-02-17
Release date:2006-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Multipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors.
Org.Biomol.Chem., 4, 2006
5JB9
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BU of 5jb9 by Molmil
Crystal structure of factor IXa K98T variant in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
4TPY
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BU of 4tpy by Molmil
High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ...
Authors:Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S.
Deposit date:2014-06-10
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
4ABF
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BU of 4abf by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
6QEO
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BU of 6qeo by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC269
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-methyl-1-[[1-[(4-nitrophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
Authors:Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
Deposit date:2019-01-08
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
3GYL
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BU of 3gyl by Molmil
Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion.
Descriptor: CALCIUM ION, GLYCEROL, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2009-04-03
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
4KTS
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BU of 4kts by Molmil
Bovine trypsin in complex with microviridin J at pH 8.5
Descriptor: CALCIUM ION, Cationic trypsin, DI(HYDROXYETHYL)ETHER, ...
Authors:Quitterer, F, Groll, M, Hertweck, C, Dittmann, E.
Deposit date:2013-05-21
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Harnessing the evolvability of tricyclic microviridins to dissect protease-inhibitor interactions.
Angew.Chem.Int.Ed.Engl., 53, 2014
1UTP
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BU of 1utp by Molmil
Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements
Descriptor: 4-PHENYLBUTYLAMINE, CALCIUM ION, GLYCEROL, ...
Authors:Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O.
Deposit date:2003-12-09
Release date:2004-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
3QGJ
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BU of 3qgj by Molmil
1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal
Descriptor: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ...
Authors:Everill, P, Meinke, G, Bohm, A, Bachovchin, W.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published
6YIX
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BU of 6yix by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-04-01
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6T56
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BU of 6t56 by Molmil
Thrombin in Complex with Benzylamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ...
Authors:Ngo, K, Abazi, N, Heine, A, Klebe, G.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Thrombin in Complex with Benzylamine
To Be Published
4NIW
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BU of 4niw by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL
Authors:Schoepfel, M, Parthier, C, Stubbs, M.T.
Deposit date:2013-11-08
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
6T4A
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BU of 6t4a by Molmil
Thrombin in Complex with a D-Phe-Pro-p-aminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Ngo, K, Collins, C, Heine, A, Klebe, G.
Deposit date:2019-10-13
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
6DWR
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BU of 6dwr by Molmil
Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Luo, M, Eaton, C.N, Phillips-Piro, C.M.
Deposit date:2018-06-27
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:Paired Spectroscopic and Crystallographic Studies of Protease Active Sites
Chemistryselect, 4, 2019
2UUJ
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BU of 2uuj by Molmil
Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
Descriptor: CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ...
Authors:Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R.
Deposit date:2007-03-03
Release date:2007-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
5EG4
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BU of 5eg4 by Molmil
BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR
Descriptor: (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ...
Authors:Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G.
Deposit date:2015-10-26
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines.
J.Med.Chem., 59, 2016
2OXS
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BU of 2oxs by Molmil
Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Alok, A, Sinha, M, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-02-21
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of the trypsin complex with benzamidine at high temperature (35 C)
To be Published

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