1KVO
| HUMAN PHOSPHOLIPASE A2 COMPLEXED WITH A HIGHLY POTENT SUBSTRATE ANOLOGUE | Descriptor: | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID, CALCIUM ION, HUMAN PHOSPHOLIPASE A2 | Authors: | Cha, S.-S, Abdel-Meguid, S.S, Oh, B.-H. | Deposit date: | 1996-07-29 | Release date: | 1997-07-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution X-ray crystallography reveals precise binding interactions between human nonpancreatic secreted phospholipase A2 and a highly potent inhibitor (FPL67047XX). J.Med.Chem., 39, 1996
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6EJG
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6EJM
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6EK2
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6BT6
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6BU3
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6O3I
| Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-02-26 | Release date: | 2019-07-17 | Last modified: | 2019-08-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Clinical Candidate (1R,4r)-4-((R)-2-((S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexan-1-ol (Navoximod), a Potent and Selective Inhibitor of Indoleamine 2,3-Dioxygenase 1. J.Med.Chem., 62, 2019
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2IQ1
| Crystal structure of human PPM1K | Descriptor: | MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K | Authors: | Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-10-12 | Release date: | 2006-11-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM., 8, 2007
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5EN4
| Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2015-11-09 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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3DKF
| Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523 | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Hendle, J. | Deposit date: | 2008-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther., 8, 2009
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3DKG
| Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523 | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Hendle, J. | Deposit date: | 2008-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther., 8, 2009
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3DKC
| Structure of MET receptor tyrosine kinase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Hepatocyte growth factor receptor, ... | Authors: | Hendle, J. | Deposit date: | 2008-06-24 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo. Mol.Cancer Ther., 8, 2009
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3FX4
| Porcine aldehyde reductase in ternary complex with inhibitor | Descriptor: | Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Carbone, V, El-Kabbani, O. | Deposit date: | 2009-01-20 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor. Eur.J.Med.Chem., 45, 2010
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3FM3
| Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 | Descriptor: | FE (III) ION, Methionine aminopeptidase 2, SULFATE ION | Authors: | Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-19 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470. Mol.Biochem.Parasitol., 168, 2009
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3FMQ
| Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor fumagillin bound | Descriptor: | FE (III) ION, FUMAGILLIN, Methionine aminopeptidase 2, ... | Authors: | Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-22 | Release date: | 2009-01-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470. Mol.Biochem.Parasitol., 168, 2009
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3FMR
| Crystal structure of an Encephalitozoon cuniculi methionine aminopeptidase type 2 with angiogenesis inhibitor TNP470 bound | Descriptor: | (1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]cyclohexyl (chloroacetyl)carbamate, FE (III) ION, Methionine aminopeptidase 2, ... | Authors: | Alvarado, J.J, Russell, M, Zhang, A, Adams, J, Toro, R, Burley, S.K, Weiss, L.M, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-22 | Release date: | 2009-01-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of a microsporidian methionine aminopeptidase type 2 complexed with fumagillin and TNP-470. Mol.Biochem.Parasitol., 168, 2009
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5L7T
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-06-03 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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5L7Y
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-06-04 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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5L7W
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-06-04 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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2AG5
| Crystal Structure of Human DHRS6 | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, dehydrogenase/reductase (SDR family) member 6 | Authors: | Kunde, G, Lukacik, P, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-26 | Release date: | 2005-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase J.Biol.Chem., 281, 2006
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5JS6
| Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-05-07 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. J.Med.Chem., 59, 2016
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5O6O
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2017-06-07 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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5HS6
| Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2016-01-25 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. J.Med.Chem., 59, 2016
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5O6Z
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2017-06-07 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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5O6X
| 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2017-06-07 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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