8OMK
| hKHK-C in complex with ADP & fructose 1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ... | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2024-01-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112, 2024
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7JJC
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8OMJ
| hKHK-C in complex with compound 28 | Descriptor: | Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | Authors: | Pautsch, A, Ebenhoch, R. | Deposit date: | 2023-03-31 | Release date: | 2024-07-10 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112, 2024
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6YJW
| Structure of Fragaria ananassa O-methyltransferase crystallized with PAS polypeptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, O-methyltransferase, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2020-04-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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6YJX
| Structure of Hen egg-white lysozyme crystallized with PAS polypeptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2020-04-05 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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5N47
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5N48
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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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1RTF
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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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1G2M
| FACTOR XA INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, CALCIUM ION, COAGULATION FACTOR X | Authors: | Nar, H. | Deposit date: | 2000-10-20 | Release date: | 2001-10-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure, 9, 2001
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1G32
| THROMBIN INHIBITOR COMPLEX | Descriptor: | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, HIRUDIN IIB, PROTHROMBIN | Authors: | Nar, H. | Deposit date: | 2000-10-23 | Release date: | 2001-10-23 | Last modified: | 2013-03-13 | 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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1G2L
| FACTOR XA INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | Authors: | Nar, H. | Deposit date: | 2000-10-20 | Release date: | 2001-10-20 | 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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1G30
| THROMBIN INHIBITOR COMPLEX | Descriptor: | HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | Authors: | Nar, H. | Deposit date: | 2000-10-23 | Release date: | 2001-10-23 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure, 9, 2001
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1AF0
| SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide, SERRATIA PROTEASE, ... | Authors: | Baumann, U. | Deposit date: | 1997-03-20 | Release date: | 1998-03-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh To be Published
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1BTH
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1ETT
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1ETS
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1GAE
| COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O. | Deposit date: | 1995-10-24 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity. J.Mol.Biol., 257, 1996
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1ETR
| REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS | Descriptor: | EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium | Authors: | Bode, W, Brandstetter, H. | Deposit date: | 1992-07-06 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992
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1TOC
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