5N48
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8AG8
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1FAX
| COAGULATION FACTOR XA INHIBITOR COMPLEX | Descriptor: | (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA | Authors: | Brandstetter, H, Engh, R.A. | Deposit date: | 1996-08-23 | Release date: | 1997-10-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition. J.Biol.Chem., 271, 1996
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8OME
| Crystal structure of hKHK-A in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMF
| Crystal structure of hKHK-C in complex with compound-4 | Descriptor: | Ketohexokinase, SULFATE ION, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMD
| Crystal structure of mKHK in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMG
| Crystal structure of mKHK (apo) | Descriptor: | Ketohexokinase | Authors: | Ebenhoch, E, Pautsch, P. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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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: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability To Be Published
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1RTF
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1BRY
| BRYODIN TYPE I RIP | Descriptor: | BRYODIN I | Authors: | Klei, H.E, Chang, C.Y. | Deposit date: | 1997-02-14 | Release date: | 1998-03-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular, biological, and preliminary structural analysis of recombinant bryodin 1, a ribosome-inactivating protein from the plant Bryonia dioica. Biochemistry, 36, 1997
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3T1W
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1ETT
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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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1ETS
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1BTH
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1TOC
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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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