4RLS
| Lactate Dehydrogenase in complex with inhibitor compound 47 | Descriptor: | (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Eigenbrot, C, Ultsch, M.H. | Deposit date: | 2014-10-17 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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5IXY
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Chen, Z, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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8ETR
| CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | Descriptor: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Murray, J.M, Johnson, M.C. | Deposit date: | 2022-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor. J.Med.Chem., 65, 2022
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2ST1
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3COH
| Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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2KZJ
| Solution structure of the ZHER2 Affibody (alternative) | Descriptor: | Engineered protein, ZHER2 Affibody | Authors: | Hard, T. | Deposit date: | 2010-06-18 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for high-affinity HER2 receptor binding by an engineered protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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4GIH
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3N85
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4GJ3
| Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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4GJ2
| Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | Descriptor: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Ultsch, M.H. | Deposit date: | 2012-08-09 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors. J.Med.Chem., 56, 2013
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4GII
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1ST2
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2KZI
| Solution structure of the ZHER2 Affibody | Descriptor: | Engineered protein, ZHER2 Affibody | Authors: | Hard, T. | Deposit date: | 2010-06-18 | Release date: | 2010-08-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for high-affinity HER2 receptor binding by an engineered protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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2FJH
| Structure of the B20-4 Fab, a phage derived Fab fragment, in complex with VEGF | Descriptor: | Fab fragment heavy chain, Fab fragment light chain, Vascular endothelial growth factor A | Authors: | Wiesmann, C. | Deposit date: | 2006-01-02 | Release date: | 2006-02-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab. J.Biol.Chem., 281, 2006
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2FJF
| Structure of the G6 Fab, a phage derived VEGF binding Fab | Descriptor: | Heavy Chain of a VEGF binding Antibody, Light Chain of a VEGF binding Antibody | Authors: | Wiesmann, C. | Deposit date: | 2006-01-02 | Release date: | 2006-02-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-function studies of two synthetic anti-vascular endothelial growth factor Fabs and comparison with the Avastin Fab. J.Biol.Chem., 281, 2006
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1YGC
| Short Factor VIIa with a small molecule inhibitor | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | Deposit date: | 2005-01-04 | Release date: | 2005-01-18 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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1D0G
| CRYSTAL STRUCTURE OF DEATH RECEPTOR 5 (DR5) BOUND TO APO2L/TRAIL | Descriptor: | APOPTOSIS-2 LIGAND, CHLORIDE ION, DEATH RECEPTOR-5, ... | Authors: | Hymowitz, S.G, Christinger, H.W, Fuh, G, O'Connell, M.P, Kelley, R.F, Ashkenazi, A, de Vos, A.M. | Deposit date: | 1999-09-09 | Release date: | 1999-10-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Triggering cell death: the crystal structure of Apo2L/TRAIL in a complex with death receptor 5. Mol.Cell, 4, 1999
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6BB3
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5VL7
| PCSK9 complex with Fab33 | Descriptor: | Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9 | Authors: | Eigenbrot, C, Shia, S. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
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4BLB
| Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ... | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BL9
| Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BLD
| Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ... | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BL8
| Crystal structure of full-length human Suppressor of fused (SUFU) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4BLA
| Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) | Descriptor: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG | Authors: | Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L. | Deposit date: | 2013-05-02 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation Acta Crystallogr.,Sect.D, 69, 2013
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4EHZ
| The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Steffek, M. | Deposit date: | 2012-04-04 | Release date: | 2012-07-04 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
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