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4X6P
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BU of 4x6p by Molmil
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
7AYS
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BU of 7ays by Molmil
Structure of bovine trypsin determined from single femtosecond snapshots per orientation at room temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-11-13
Release date:2021-01-20
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection.
J.Synchrotron Radiat., 28, 2021
4XE4
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BU of 4xe4 by Molmil
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
4XOJ
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BU of 4xoj by Molmil
Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1)
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ...
Authors:Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1).
Chembiochem, 16, 2015
4XDE
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BU of 4xde by Molmil
Coagulation Factor XII protease domain crystal structure
Descriptor: CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL
Authors:Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
Deposit date:2014-12-19
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
7BS8
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BU of 7bs8 by Molmil
Bovine Pancreatic Trypsin with Benzamidine (Cryo)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
4XSK
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BU of 4xsk by Molmil
Structure of PAItrap, an uPA mutant
Descriptor: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M.
Deposit date:2015-01-22
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of PAItrap, an uPA mutant
To Be Published
7BS2
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BU of 7bs2 by Molmil
Bovine Pancreatic Trypsin with serotonin (Room Temperature)
Descriptor: CALCIUM ION, Cationic trypsin, SEROTONIN, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRY
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BU of 7bry by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS5
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BU of 7bs5 by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS1
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BU of 7bs1 by Molmil
Bovine Pancreatic Trypsin with benzamidine (Room Temperature)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS9
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BU of 7bs9 by Molmil
Bovine Pancreatic Trypsin with serotonin (Cryo)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRX
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BU of 7brx by Molmil
Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature)
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS4
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BU of 7bs4 by Molmil
Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Cryo)
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
4Y8X
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BU of 4y8x by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
7BRV
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BU of 7brv by Molmil
Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature)
Descriptor: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRZ
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BU of 7brz by Molmil
Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature)
Descriptor: 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS7
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BU of 7bs7 by Molmil
Bovine Pancreatic Trypsin with aniline (Cryo)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS6
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BU of 7bs6 by Molmil
Bovine Pancreatic Trypsin with 2-Methyltryptamine (Cryo)
Descriptor: 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS3
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BU of 7bs3 by Molmil
Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo)
Descriptor: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRW
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BU of 7brw by Molmil
Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature)
Descriptor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS0
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BU of 7bs0 by Molmil
Bovine Pancreatic Trypsin with aniline (Room Temperature)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BSA
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BU of 7bsa by Molmil
Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)
Descriptor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
4Y8Z
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BU of 4y8z by Molmil
Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ...
Authors:Sheriff, S.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
4Y8Y
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BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-02-16
Release date:2015-05-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015

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数据于2024-05-15公开中

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