1YRZ
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![BU of 1yrz by Molmil](/molmil-images/mine/1yrz) | Crystal structure of xylan beta-1,4-xylosidase from Bacillus Halodurans C-125 | Descriptor: | xylan beta-1,4-xylosidase | Authors: | Fedorov, A.A, Fedorov, E.V, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2005-02-05 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of xylan beta-1,4-xylosidase from Bacillus Halodurans C-125 To be Published
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5DQN
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![BU of 5dqn by Molmil](/molmil-images/mine/5dqn) | Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y | Descriptor: | CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ... | Authors: | Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A. | Deposit date: | 2015-09-15 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.262 Å) | Cite: | Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis. Biochemistry, 54, 2015
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2BC5
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![BU of 2bc5 by Molmil](/molmil-images/mine/2bc5) | Crystal structure of E. coli cytochrome b562 with engineered c-type heme linkages | Descriptor: | HEME C, SULFATE ION, Soluble cytochrome b562 | Authors: | Faraone-Mennella, J, Tezcan, F.A, Gray, H.B, Winkler, J.R. | Deposit date: | 2005-10-18 | Release date: | 2006-09-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Stability and Folding Kinetics of Structurally Characterized Cytochrome c-b(562). Biochemistry, 45, 2006
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4MXC
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![BU of 4mxc by Molmil](/molmil-images/mine/4mxc) | Crystal structure of CMET in complex with novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[2-({3-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2013-09-26 | Release date: | 2014-10-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity ACS MED.CHEM.LETT., 5, 2014
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4GRQ
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![BU of 4grq by Molmil](/molmil-images/mine/4grq) | Characterization of N- and C- terminus mutants of human MIF | Descriptor: | 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor, ... | Authors: | Fan, C, Lolis, E. | Deposit date: | 2012-08-26 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Characterization of N- and C- terminus mutants of human MIF To be Published
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1TIJ
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![BU of 1tij by Molmil](/molmil-images/mine/1tij) | 3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets | Descriptor: | Cystatin C | Authors: | Janowski, R, Kozak, M, Abrahamson, M, Grubb, A, Jaskolski, M. | Deposit date: | 2004-06-02 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | 3D domain-swapped human cystatin C with amyloidlike intermolecular beta-sheets. Proteins, 61, 2005
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4GRO
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![BU of 4gro by Molmil](/molmil-images/mine/4gro) | |
4F09
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![BU of 4f09 by Molmil](/molmil-images/mine/4f09) | |
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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7WVF
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![BU of 7wvf by Molmil](/molmil-images/mine/7wvf) | ectoTLR3-mAb12-poly(I:C) complex | Descriptor: | RNA (46-MER), Toll-like receptor 3, mAb12 | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | Deposit date: | 2022-02-10 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand. Nat Commun, 13, 2022
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7X6Z
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![BU of 7x6z by Molmil](/molmil-images/mine/7x6z) | |
7X70
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![BU of 7x70 by Molmil](/molmil-images/mine/7x70) | |
3KH9
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![BU of 3kh9 by Molmil](/molmil-images/mine/3kh9) | Crystal structure of the periplasmic soluble domain of oxidized CcmG from Pseudomonas aeruginosa | Descriptor: | Thiol:disulfide interchange protein dsbE | Authors: | Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C. | Deposit date: | 2009-10-30 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus. Proteins, 78, 2010
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7X6Y
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2OBO
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![BU of 2obo by Molmil](/molmil-images/mine/2obo) | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-19 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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3NKX
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![BU of 3nkx by Molmil](/molmil-images/mine/3nkx) | |
5Q05
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![BU of 5q05 by Molmil](/molmil-images/mine/5q05) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-20 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea To be published
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4IVD
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![BU of 4ivd by Molmil](/molmil-images/mine/4ivd) | JAK1 kinase (JH1 domain) in complex with compound 34 | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Eigenbrot, C, Steffek, M. | Deposit date: | 2013-01-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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4J20
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![BU of 4j20 by Molmil](/molmil-images/mine/4j20) | X-ray structure of the cytochrome c-554 from chlorobaculum tepidum | Descriptor: | Cytochrome c-555, HEME B/C, ISOPROPYL ALCOHOL, ... | Authors: | Unno, M, Yu, L.J, Wang-otomo, Z.Y. | Deposit date: | 2013-02-04 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure analysis and characterization of the cytochrome c-554 from thermophilic green sulfur photosynthetic bacterium Chlorobaculum tepidum Photosynth.Res., 118, 2013
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3LG1
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![BU of 3lg1 by Molmil](/molmil-images/mine/3lg1) | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase reduced by sodium borohydride (in complex with sulfite) | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Dorovatovsky, P.V, Tikhonova, T.V, Popov, V.O. | Deposit date: | 2010-01-19 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 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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4C4Q
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![BU of 4c4q by Molmil](/molmil-images/mine/4c4q) | Cryo-EM map of the CSFV IRES in complex with the small ribosomal 40S subunit and DHX29 | Descriptor: | INTERNAL RIBOSOMAL ENTRY SITE | Authors: | Hashem, Y, desGeorges, A, Dhote, V, Langlois, R, Liao, H.Y, Grassucci, R.A, Pestova, T.V, Hellen, C.U.T, Frank, J. | Deposit date: | 2013-09-07 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | Hepatitis-C-Virus-Like Internal Ribosome Entry Sites Displace Eif3 to Gain Access to the 40S Subunit Nature, 503, 2013
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4NM1
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![BU of 4nm1 by Molmil](/molmil-images/mine/4nm1) | Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
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1UO9
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![BU of 1uo9 by Molmil](/molmil-images/mine/1uo9) | Deacetoxycephalosporin C synthase complexed with succinate | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, SUCCINIC ACID | Authors: | Valegard, K, Terwisscha Van scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | Deposit date: | 2003-09-16 | Release date: | 2004-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol., 11, 2004
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4CCP
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![BU of 4ccp by Molmil](/molmil-images/mine/4ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | Authors: | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | Deposit date: | 1990-02-28 | Release date: | 1991-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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1UOB
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![BU of 1uob by Molmil](/molmil-images/mine/1uob) | Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, ... | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | Deposit date: | 2003-09-16 | Release date: | 2004-01-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Nat.Struct.Mol.Biol., 11, 2004
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