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4KNB
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BU of 4knb by Molmil
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
4WEB
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BU of 4web by Molmil
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:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
4WTF
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BU of 4wtf by Molmil
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
1AKK
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BU of 1akk by Molmil
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:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of oxidized horse heart cytochrome c.
Biochemistry, 36, 1997
7S3P
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BU of 7s3p by Molmil
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
7R8R
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BU of 7r8r by Molmil
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
5G01
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BU of 5g01 by Molmil
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
4YLJ
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BU of 4ylj by Molmil
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:2023-11-15
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
4YLK
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BU of 4ylk by Molmil
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:2023-11-15
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
4YLL
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BU of 4yll by Molmil
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:2023-11-15
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
5A6H
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BU of 5a6h by Molmil
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
6ECJ
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BU of 6ecj by Molmil
Human cytochrome c G41T
Descriptor: Cytochrome c, HEME C
Authors:Fellner, M, Jameson, G.N.L, Ledgerwood, E.C, Wilbanks, S.M.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity.
Biochem.J., 2021
1GU6
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BU of 1gu6 by Molmil
Structure of the Periplasmic Cytochrome c Nitrite Reductase from Escherichia coli
Descriptor: CALCIUM ION, CYTOCHROME C552, GLYCEROL, ...
Authors:Bamford, V.A, Angove, H.C, Seward, H.E, Thomson, A.J, Cole, J.A, Butt, J.N, Hemmings, A.M, Richardson, D.J.
Deposit date:2002-01-24
Release date:2002-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Spectroscopy of the Periplasmic Cytochrome C Nitrite Reductase from Escherichia Coli
Biochemistry, 41, 2002
2X08
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BU of 2x08 by Molmil
cytochrome c peroxidase: ascorbate bound to the engineered ascorbate binding site
Descriptor: ASCORBIC ACID, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ...
Authors:Murphy, E.J, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2009-12-07
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Engineering the substrate specificity and reactivity of a heme protein: creation of an ascorbate binding site in cytochrome c peroxidase.
Biochemistry, 47, 2008
5T7H
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BU of 5t7h by Molmil
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:2023-10-04
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
2WPA
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BU of 2wpa by Molmil
Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ...
Authors:Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M.
Deposit date:2009-08-03
Release date:2010-02-23
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
5TY3
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BU of 5ty3 by Molmil
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:2023-10-04
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
5DFS
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BU of 5dfs by Molmil
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:2023-09-27
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
1KYO
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BU of 1kyo by Molmil
YEAST CYTOCHROME BC1 COMPLEX WITH BOUND SUBSTRATE CYTOCHROME C
Descriptor: CYTOCHROME B, CYTOCHROME C, ISO-1, ...
Authors:Lange, C, Hunte, C.
Deposit date:2002-02-05
Release date:2002-03-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of the yeast cytochrome bc1 complex with its bound substrate cytochrome c.
Proc.Natl.Acad.Sci.USA, 99, 2002
3A9F
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BU of 3a9f by Molmil
Crystal structure of the C-terminal domain of cytochrome cz from Chlorobium tepidum
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Cytochrome c, HEME C, ...
Authors:Hirano, Y, Higuchi, M, Azai, C, Oh-oka, H, Miki, K, Wang, Z.-Y.
Deposit date:2009-10-25
Release date:2010-03-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the electron carrier domain of the reaction center cytochrome c(z) subunit from green photosynthetic bacterium Chlorobium tepidum
J.Mol.Biol., 397, 2010
5EXQ
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BU of 5exq by Molmil
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:2023-09-27
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
1W2O
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BU of 1w2o by Molmil
Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C
Descriptor: DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION
Authors:Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I.
Deposit date:2004-07-07
Release date:2004-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
2CCY
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BU of 2ccy by Molmil
STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION
Descriptor: CYTOCHROME C, HEME C
Authors:Finzel, B.C, Weber, P.C, Hardman, K.D, Salemme, F.R.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution.
J.Mol.Biol., 186, 1985
1I5T
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BU of 1i5t by Molmil
SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C
Descriptor: CYANIDE ION, CYTOCHROME C, HEME C
Authors:Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W.
Deposit date:2001-02-28
Release date:2001-03-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety.
J.Biol.Inorg.Chem., 7, 2002
1INI
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BU of 1ini by Molmil
CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS, COMPLEXED WITH CDP-ME AND MG2+
Descriptor: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETASE, MAGNESIUM ION
Authors:Richard, S.B, Bowman, M.E, Kwiatkowski, W, Kang, I, Chow, C, Lillo, A, Cane, D.E, Noel, J.P.
Deposit date:2001-05-14
Release date:2001-11-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of 4-diphosphocytidyl-2-C- methylerythritol synthetase involved in mevalonate- independent isoprenoid biosynthesis.
Nat.Struct.Biol., 8, 2001

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