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7WHU	Human Neutrophil Elastase in-complex with Ecotin Peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ... Authors: Shankar, S, Jayaraman, S. Deposit date: 2021-12-31 Release date: 2022-07-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide Protein Sci., 31, 2022
4X1N	The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4 Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-25 Release date: 2015-03-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
4X6M	FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ... Authors: Wei, A. Deposit date: 2014-12-08 Release date: 2015-02-18 Last modified: 2015-04-01 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg.Med.Chem.Lett., 25, 2015
4X6N	FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ... Authors: Wei, A. Deposit date: 2014-12-08 Release date: 2015-02-18 Last modified: 2015-04-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg.Med.Chem.Lett., 25, 2015
4X6O	FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ... Authors: Wei, A. Deposit date: 2014-12-08 Release date: 2015-02-18 Last modified: 2015-04-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg.Med.Chem.Lett., 25, 2015
4WXI	FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide Descriptor: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ... Authors: Wei, A. Deposit date: 2014-11-13 Release date: 2015-01-28 Last modified: 2018-08-29 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Pyridine and pyridinone-based factor XIa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4X1Q	The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4 Descriptor: Urokinase-type plasminogen activator, mupain-1 Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-25 Release date: 2015-03-25 Last modified: 2015-11-04 Method: X-RAY DIFFRACTION (2.28 Å) Cite: A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
4X0W	The crystal structure of mupain-1-17 in complex with murinised human uPA Descriptor: SULFATE ION, Urokinase-type plasminogen activator, mupain-1-17, ... Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-24 Release date: 2015-10-21 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. Int.J.Biochem.Cell Biol., 62, 2015
4X1P	The crystal structure of mupain-1-17 in complex with murinised human uPA at pH4.6 Descriptor: MUPAIN-1-17, SULFATE ION, TRIETHYLENE GLYCOL, ... Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-25 Release date: 2015-10-21 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. Int.J.Biochem.Cell Biol., 62, 2015
4WVP	Crystal structure of an activity-based probe HNE complex Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BTN-3V3-NLB-OMT-OIC-3V2, ... Authors: Lechtenberg, B.C, Kasperkiewicz, P, Robinson, H.R, Drag, M, Riedl, S.J. Deposit date: 2014-11-06 Release date: 2015-02-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.63 Å) Cite: The Elastase-PK101 Structure: Mechanism of an Ultrasensitive Activity-based Probe Revealed. Acs Chem.Biol., 10, 2015
4X1S	The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-25 Release date: 2015-10-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
4X6P	FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide Descriptor: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... Authors: Sheriff, S. Deposit date: 2014-12-08 Release date: 2015-02-18 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg.Med.Chem.Lett., 25, 2015
4X1R	The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4 Descriptor: 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12 Authors: Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. Deposit date: 2014-11-25 Release date: 2015-03-25 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
4XE4	Coagulation Factor XII protease domain crystal structure Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL Authors: Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. Deposit date: 2014-12-22 Release date: 2015-02-04 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
7JWX	Crystal Structure of Trypsin Bound O-methyl Benzamidine Descriptor: 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide, CALCIUM ION, CHLORIDE ION, ... Authors: Packianathan, C, Laganowsky, A. Deposit date: 2020-08-26 Release date: 2021-08-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist. Org.Biomol.Chem., 20, 2022
7GCH	STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS Descriptor: 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A Authors: Brady, K, Ringe, D, Abeles, R.H. Deposit date: 1990-04-06 Release date: 1990-10-15 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors. Biochemistry, 29, 1990
7KU0	Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.02 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
7KU1	Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.39 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
7KU3	Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
7KTZ	Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
7KU2	Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.185 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
7KTY	Data clustering and dynamics of chymotrypsinogen average structure Descriptor: Chymotrypsinogen A, SULFATE ION Authors: Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. Deposit date: 2020-11-24 Release date: 2021-03-10 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
5K7R	MicroED structure of trypsin at 1.7 A resolution Descriptor: CALCIUM ION, Cationic trypsin Authors: de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. Deposit date: 2016-05-26 Release date: 2017-04-05 Last modified: 2018-08-22 Method: ELECTRON CRYSTALLOGRAPHY (1.7 Å) Cite: Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
5JYI	Trypsin bound with succinic acid at 1.9A Descriptor: CALCIUM ION, Cationic trypsin, SODIUM ION, ... Authors: Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K. Deposit date: 2016-05-14 Release date: 2016-07-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.914 Å) Cite: Trypsin bound with succinic acid at 1.9A To Be Published
5KWM	S. erythraea trypsin long construct apoenzyme Descriptor: Trypsin Authors: Blankenship, E, Lodowski, D.T. Deposit date: 2016-07-18 Release date: 2017-10-18 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (0.777 Å) Cite: S. erythraea trypsin long construct To be Published

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