4KNB
 
 | | C-Met in complex with OSI ligand | | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | | Deposit date: | 2013-05-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
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4WEB
 | | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ... | | Authors: | Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J. | | Deposit date: | 2014-09-09 | | Release date: | 2014-12-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
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4WTF
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GS-639475, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU | | Descriptor: | 2'-C-methyluridine 5'-(trihydrogen diphosphate), CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Edwards, T.E, Appleby, T.C, Mcgrath, M.E. | | Deposit date: | 2014-10-30 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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7R8R
 | | Physachenolide C with Bromodomain (BRD3-BD1) | | Descriptor: | Bromodomain-containing protein 3, Physachenolide C | | Authors: | Fromme, R, Sivinski, J, Zerio, C, Gunatilaka, A.A.L, Chapman, E. | | Deposit date: | 2021-06-27 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
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4YLK
 | | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-05 | | Release date: | 2015-03-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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4YLL
 | | Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | | Descriptor: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-05 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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4YLJ
 | | Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | | Descriptor: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Chaikuad, A, Falke, H, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-05 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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5F2Q
 | | C-type lectin from Bothrops jararacussu | | Descriptor: | C-type lectin BJcuL, CALCIUM ION, SODIUM ION | | Authors: | de Padua, R.A.P, Pinheiro, M.P, Sartim, M.A, Sampaio, S.V, Nonato, M.C. | | Deposit date: | 2015-12-02 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | C-type lectin from Bothrops jararacussu
To Be Published
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5G01
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | Descriptor: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SODIUM ION, ... | | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2016-03-16 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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5G03
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | Descriptor: | CARBONIC ANHYDRASE 2, PSAMMAPLIN C, SULFATE ION, ... | | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2016-03-16 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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5A6H
 | | Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C | | Descriptor: | CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ... | | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S. | | Deposit date: | 2015-06-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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5EXQ
 | | Human cytochrome c Y48H | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Fellner, M, Jameson, G.N.L, Ledgerwood, E.C, Wilbanks, S.M. | | Deposit date: | 2015-11-24 | | Release date: | 2016-11-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity.
Biochem.J., 2021
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5DFS
 | | Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome c, ... | | Authors: | MOU, T.C, McClelland, L.J, Jeakins-Cooley, M.E, Goldes, M.E, SPRANG, S.R, BOWLER, B.E. | | Deposit date: | 2015-08-27 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Disruption of a hydrogen bond network in human versus spider monkey cytochrome c affects heme crevice stability.
J.Inorg.Biochem., 158, 2016
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7S3P
 | | BD2 domain of human BRD3 bound to Physachenolide C | | Descriptor: | Bromodomain-containing protein 3, CHLORIDE ION, Physachenolide C | | Authors: | Horton, N.C, Chapman, E, Sivinski, J, Zerio, C, Ghadirian, N. | | Deposit date: | 2021-09-07 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
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1N15
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5TY3
 | | Crystal structure of K72A variant of Human Cytochrome c | | Descriptor: | Cytochrome c, HEME C, SULFATE ION | | Authors: | Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c.
Biochemistry, 56, 2017
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1MQV
 | | Crystal Structure of the Q1A/F32W/W72F mutant of Rhodopseudomonas palustris cytochrome c' (prime) expressed in E. coli | | Descriptor: | CYTOCHROME C', HEME C | | Authors: | Lee, J.C, Engman, K.C, Tezcan, F.A, Gray, H.B, Winkler, J.R. | | Deposit date: | 2002-09-17 | | Release date: | 2002-11-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Features of Cytochrome c' Folding Intermediates Revealed by Fluorescence Energy-Transfer Kinetics
Proc.Natl.Acad.Sci.USA, 99, 2002
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1N50
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1N90
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4MU8
 | | Crystal structure of an oxidized form of yeast iso-1-cytochrome c at pH 8.8 | | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | | Authors: | McClelland, L.J, Mou, T.-C, Jeakins-Cooley, M.E, Sprang, S.R, Bowler, B.E. | | Deposit date: | 2013-09-20 | | Release date: | 2014-06-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a mitochondrial cytochrome c conformer competent for peroxidase activity.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1W2L
 | | Cytochrome c domain of caa3 oxygen oxidoreductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CYTOCHROME OXIDASE SUBUNIT II, ... | | Authors: | Srinivasan, V, Rajendran, C, Sousa, F.L, Melo, A.M.P, Saraiva, L.M, Pereira, M.M, Santana, M, Teixeira, M, Michel, H. | | Deposit date: | 2004-07-06 | | Release date: | 2005-01-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure at 1.3 A resolution of Rhodothermus marinus caa(3) cytochrome c domain.
J. Mol. Biol., 345, 2005
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1M60
 | | Solution Structure of Zinc-substituted cytochrome c | | Descriptor: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | | Authors: | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | | Deposit date: | 2002-07-11 | | Release date: | 2002-08-07 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of zinc-substituted cytochrome c.
J.Biol.Inorg.Chem., 8, 2003
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3N4C
 | | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors | | Descriptor: | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ... | | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | | Deposit date: | 2010-05-21 | | Release date: | 2011-04-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5T7H
 | | Crystal structure of dimeric yeast iso-1-cytochrome C with CYMAL6 | | Descriptor: | 6-cyclohexylhexan-1-ol, Cytochrome c iso-1, HEME C, ... | | Authors: | Mcclelland, L, Mou, T.C, Sprang, S.R, Bowler, B.E. | | Deposit date: | 2016-09-05 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Cytochrome c Can Form a Well-Defined Binding Pocket for Hydrocarbons.
J. Am. Chem. Soc., 138, 2016
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1AKK
 | | SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Banci, L, Bertini, I, Gray, H.B, Luchinat, C, Reddig, T, Rosato, A, Turano, P. | | Deposit date: | 1997-05-22 | | Release date: | 1997-09-17 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Solution structure of oxidized horse heart cytochrome c.
Biochemistry, 36, 1997
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