2GDO
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![BU of 2gdo by Molmil](/molmil-images/mine/2gdo) | 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors | Descriptor: | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Le, V, Dove, J, Fang, E, Bussiere, D.E. | Deposit date: | 2006-03-16 | Release date: | 2007-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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8RIJ
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![BU of 8rij by Molmil](/molmil-images/mine/8rij) | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | Deposit date: | 2023-12-18 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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5E80
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![BU of 5e80 by Molmil](/molmil-images/mine/5e80) | The crystal structure of PDEd in complex with inhibitor-2a | Descriptor: | N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Ismail, S, Fansa, E.K, Murarka, S, Wittinghofer, A. | Deposit date: | 2015-10-13 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of pyrazolopyridazinones as PDE delta inhibitors. Nat Commun, 7, 2016
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2OGV
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![BU of 2ogv by Molmil](/molmil-images/mine/2ogv) | Crystal Structure of the Autoinhibited Human c-Fms Kinase Domain | Descriptor: | Macrophage colony-stimulating factor 1 receptor precursor | Authors: | Walter, M, Lucet, I.S, Patel, O, Broughton, S.E, Bamert, R, Williams, N.K, Fantino, E, Wilks, A.F, Rossjohn, J. | Deposit date: | 2007-01-09 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The 2.7 A crystal structure of the autoinhibited human c-Fms kinase domain. J.Mol.Biol., 367, 2007
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1EEH
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![BU of 1eeh by Molmil](/molmil-images/mine/1eeh) | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | Deposit date: | 2000-01-31 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
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3UAG
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![BU of 3uag by Molmil](/molmil-images/mine/3uag) | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Bertrand, J.A, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | Deposit date: | 1999-02-24 | Release date: | 2000-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J.Mol.Biol., 289, 1999
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3FUP
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![BU of 3fup by Molmil](/molmil-images/mine/3fup) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S. | Deposit date: | 2009-01-14 | Release date: | 2009-02-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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3EYH
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![BU of 3eyh by Molmil](/molmil-images/mine/3eyh) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Tyrosine-protein kinase | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | Deposit date: | 2008-10-20 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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3EYG
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![BU of 3eyg by Molmil](/molmil-images/mine/3eyg) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase | Authors: | Williams, N.K, Bamert, R.S, Patell, O, Wang, C, Walden, P.M, Fantino, E. | Deposit date: | 2008-10-20 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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