2BGV
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![BU of 2bgv by Molmil](/molmil-images/mine/2bgv) | X-ray structure of ferric cytochrome c-550 from Paracoccus versutus | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-05 | Release date: | 2005-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
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5Y6H
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2OIN
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![BU of 2oin by Molmil](/molmil-images/mine/2oin) | crystal structure of HCV NS3-4A R155K mutant | Descriptor: | NS4A peptide, Polyprotein, ZINC ION | Authors: | Wei, Y. | Deposit date: | 2007-01-11 | Release date: | 2007-06-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha. J.Biol.Chem., 282, 2007
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1FIB
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2AUS
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![BU of 2aus by Molmil](/molmil-images/mine/2aus) | Crystal structure of the archaeal box H/ACA sRNP Nop10-Cbf5 complex | Descriptor: | PHOSPHATE ION, Ribosome biogenesis protein Nop10, ZINC ION, ... | Authors: | Charron, C, Manival, X, Charpentier, B, Fourmann, J.-B, Godard, F, Branlant, C. | Deposit date: | 2005-08-29 | Release date: | 2006-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure determination and site-directed mutagenesis of the Pyrococcus abyssi aCBF5-aNOP10 complex reveal crucial roles of the C-terminal domains of both proteins in H/ACA sRNP activity Nucleic Acids Res., 34, 2006
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1XXE
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![BU of 1xxe by Molmil](/molmil-images/mine/1xxe) | RDC refined solution structure of the AaLpxC/TU-514 complex | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | Authors: | Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P. | Deposit date: | 2004-11-04 | Release date: | 2004-11-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design Biochemistry, 44, 2005
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2B1G
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![BU of 2b1g by Molmil](/molmil-images/mine/2b1g) | Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase | Descriptor: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE, Bifunctional purine biosynthesis protein PURH, PHOSPHATE ION, ... | Authors: | Xu, L, Chong, Y, Hwang, I, D'Onofrio, A, Amore, K, Beardsley, G.P, Li, C, Olson, A.J, Boger, D.L, Wilson, I.A. | Deposit date: | 2005-09-15 | Release date: | 2006-11-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based Design, Synthesis, Evaluation, and Crystal Structures of Transition State Analogue Inhibitors of Inosine Monophosphate Cyclohydrolase. J.Biol.Chem., 282, 2007
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2AWU
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![BU of 2awu by Molmil](/molmil-images/mine/2awu) | Synapse associated protein 97 PDZ2 domain variant C378G | Descriptor: | AHH, Synapse-associated protein 97 | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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3R7O
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![BU of 3r7o by Molmil](/molmil-images/mine/3r7o) | Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-2461 analog | Descriptor: | Hepatocyte growth factor receptor, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide | Authors: | Soisson, S.M, Rickert, K, Patel, S.B, Munshi, S, Lumb, K.J. | Deposit date: | 2011-03-22 | Release date: | 2012-02-01 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for selective small molecule kinase inhibition of activated c-Met. J.Biol.Chem., 286, 2011
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2N9J
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![BU of 2n9j by Molmil](/molmil-images/mine/2n9j) | Solution structure of oxidized human cytochrome c | Descriptor: | Cytochrome c, HEME C | Authors: | Imai, M, Saio, T, Kumeta, H, Uchida, T, Inagaki, F, Ishimori, K. | Deposit date: | 2015-11-24 | Release date: | 2016-02-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Investigation of the redox-dependent modulation of structure and dynamics in human cytochrome c. Biochem.Biophys.Res.Commun., 469, 2016
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3IHQ
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2CEP
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3WC8
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![BU of 3wc8 by Molmil](/molmil-images/mine/3wc8) | Dimeric horse cytochrome c obtained by refolding with desalting method | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | Authors: | Parui, P.P, Deshpande, M.S, Nagao, S, Kamikubo, H, Komori, H, Higuchi, Y, Kataoka, M, Hirota, S. | Deposit date: | 2013-05-25 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Formation of Oligomeric Cytochrome c during Folding by Intermolecular Hydrophobic Interaction between N- and C-Terminal alpha-Helices Biochemistry, 52, 2013
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5SFM
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![BU of 5sfm by Molmil](/molmil-images/mine/5sfm) | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | Descriptor: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2022-01-21 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SFW
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![BU of 5sfw by Molmil](/molmil-images/mine/5sfw) | Crystal Structure of human phosphodiesterase 10 in complex with 5-ethyl-8-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | Descriptor: | (4R)-5-ethyl-8-methyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2022-01-21 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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5SEF
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![BU of 5sef by Molmil](/molmil-images/mine/5sef) | Crystal Structure of human phosphodiesterase 10 in complex with 5,7,8-trimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | Descriptor: | (4R)-5,7,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2022-01-21 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022
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2R9G
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![BU of 2r9g by Molmil](/molmil-images/mine/2r9g) | Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-12 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium. To be Published
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3GA0
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![BU of 3ga0 by Molmil](/molmil-images/mine/3ga0) | CtBP1/BARS Gly172->Glu mutant structure: impairing NAD(H) binding and dimerization | Descriptor: | C-terminal-binding protein 1, FORMIC ACID | Authors: | Nardini, M, Valente, C, Ricagno, S, Luini, A, Corda, D, Bolognesi, M. | Deposit date: | 2009-02-16 | Release date: | 2009-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | CtBP1/BARS Gly172-->Glu mutant structure: impairing NAD(H)-binding and dimerization Biochem.Biophys.Res.Commun., 381, 2009
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4F08
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3CAG
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![BU of 3cag by Molmil](/molmil-images/mine/3cag) | Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines. | Descriptor: | ARGININE, Arginine repressor | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-02-19 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.D, 64, 2008
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1MBM
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![BU of 1mbm by Molmil](/molmil-images/mine/1mbm) | NSP4 proteinase from Equine Arteritis Virus | Descriptor: | chymotrypsin-like serine protease | Authors: | Barrette-Ng, I.H, Ng, K.K.-S, Mark, B.L, van Aken, D, Cherney, M.M, Garen, C, Kolodenko, Y, Gorbalenya, A.E, Snijder, E.J, James, M.N.G. | Deposit date: | 2002-08-03 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Arterivirus nsp4: the smallest chymotrypsin-like proteinase with an alpha/beta C-terminal extension and alternate conformations of the oxyanion hole J.Biol.Chem., 277, 2002
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4J93
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![BU of 4j93 by Molmil](/molmil-images/mine/4j93) | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1 | Descriptor: | (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein | Authors: | Lemke, C.T. | Deposit date: | 2013-02-15 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes. Antimicrob.Agents Chemother., 57, 2013
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3GMJ
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![BU of 3gmj by Molmil](/molmil-images/mine/3gmj) | Crystal structure of MAD MH2 domain | Descriptor: | Protein mothers against dpp | Authors: | Wu, J.W, Wang, C. | Deposit date: | 2009-03-14 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the MH2 domain of Drosophila Mad SCI.CHINA, SER.C: LIFE SCI., 52, 2009
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3LGQ
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![BU of 3lgq by Molmil](/molmil-images/mine/3lgq) | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with sulfite (modified Tyr-303) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Tikhonova, T.V, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | Deposit date: | 2010-01-21 | Release date: | 2011-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity. Acta Crystallogr.,Sect.D, 68, 2012
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4OTN
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