3GX3
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3H8S
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6ZIY
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![BU of 6ziy by Molmil](/molmil-images/mine/6ziy) | Respiratory complex I from Thermus thermophilus, NADH dataset, major state | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | Deposit date: | 2020-06-26 | Release date: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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5DCZ
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2G4O
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![BU of 2g4o by Molmil](/molmil-images/mine/2g4o) | anomalous substructure of 3-ISOPROPYLMALATE DEHYDROGENASE | Descriptor: | 3-isopropylmalate dehydrogenase, CHLORIDE ION, SULFATE ION | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-02-22 | Release date: | 2007-02-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths. Acta Crystallogr.,Sect.D, 63, 2007
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5DF1
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![BU of 5df1 by Molmil](/molmil-images/mine/5df1) | Iridoid synthase from Catharanthus roseus - ternary complex with NADP+ and geranic acid | Descriptor: | (2E)-3,7-dimethylocta-2,6-dienoic acid, 1,2-ETHANEDIOL, IMIDAZOLE, ... | Authors: | Caputi, L, Kries, H, Stevenson, C.E.M, Kamileen, M.O, Sherden, N.H, Geu-Flores, F, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2015-08-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural determinants of reductive terpene cyclization in iridoid biosynthesis. Nat.Chem.Biol., 12, 2016
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5DFL
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3H8E
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3H8W
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2G3F
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![BU of 2g3f by Molmil](/molmil-images/mine/2g3f) | Crystal Structure of imidazolonepropionase complexed with imidazole-4-acetic acid sodium salt, a substrate homologue | Descriptor: | 2H-IMIDAZOL-4-YLACETIC ACID, Imidazolonepropionase, ZINC ION | Authors: | Yu, Y, Liang, Y.H, Su, X.D. | Deposit date: | 2006-02-19 | Release date: | 2006-09-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis J.Biol.Chem., 281, 2006
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3H96
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![BU of 3h96 by Molmil](/molmil-images/mine/3h96) | Msmeg_3358 F420 Reductase | Descriptor: | 1,2-ETHANEDIOL, F420-H2 Dependent Reductase A | Authors: | Jackson, C.J, French, N, Newman, J, Taylor, M.C, Russell, R.J, Oakeshott, J.G. | Deposit date: | 2009-04-30 | Release date: | 2010-04-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and characterization of two families of F420 H2-dependent reductases from Mycobacteria that catalyse aflatoxin degradation. Mol.Microbiol., 78, 2010
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3HA8
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![BU of 3ha8 by Molmil](/molmil-images/mine/3ha8) | THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | Descriptor: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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2G6F
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6DUX
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![BU of 6dux by Molmil](/molmil-images/mine/6dux) | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD. | Descriptor: | (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-22 | Release date: | 2018-07-04 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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2GFS
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![BU of 2gfs by Molmil](/molmil-images/mine/2gfs) | P38 Kinase Crystal Structure in complex with RO3201195 | Descriptor: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | Authors: | Harris, S.F, Bertrand, J, Villasenor, A. | Deposit date: | 2006-03-23 | Release date: | 2006-04-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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6DLI
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2FN1
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![BU of 2fn1 by Molmil](/molmil-images/mine/2fn1) | Crystal structures of Yersinia enterocolitica salicylate synthase (Irp9) in complex with the reaction products salicylate and pyruvate | Descriptor: | 2-HYDROXYBENZOIC ACID, MAGNESIUM ION, PYRUVIC ACID, ... | Authors: | Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C. | Deposit date: | 2006-01-10 | Release date: | 2006-02-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate. J.Mol.Biol., 357, 2006
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3HFR
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![BU of 3hfr by Molmil](/molmil-images/mine/3hfr) | Crystal structure of glutamate racemase from Listeria monocytogenes | Descriptor: | CHLORIDE ION, Glutamate racemase, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Klimecka, M.M, Cymborowski, M, Skarina, T, Onopriyenko, O, Stam, J, Otwinowski, Z, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-05-12 | Release date: | 2009-06-09 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of glutamate racemase from Listeria monocytogenes TO BE PUBLISHED
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5DA7
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![BU of 5da7 by Molmil](/molmil-images/mine/5da7) | monomeric PCNA bound to a small protein inhibitor | Descriptor: | DNA polymerase sliding clamp 1, Proliferating cell nuclear antigen, SULFATE ION, ... | Authors: | Ladner, J.E, Altieri, A.S, Kelman, Z. | Deposit date: | 2015-08-19 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp. Nucleic Acids Res., 44, 2016
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5DBI
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![BU of 5dbi by Molmil](/molmil-images/mine/5dbi) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
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5D78
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6ZJY
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![BU of 6zjy by Molmil](/molmil-images/mine/6zjy) | Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | Authors: | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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6DA3
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![BU of 6da3 by Molmil](/molmil-images/mine/6da3) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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6DAZ
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![BU of 6daz by Molmil](/molmil-images/mine/6daz) | X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate | Descriptor: | (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Mitchell, A.J, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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5D1M
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![BU of 5d1m by Molmil](/molmil-images/mine/5d1m) | Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (P199A) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ... | Authors: | Liang, Y.-H, Li, S, Weissman, A.M, Ji, X. | Deposit date: | 2015-08-04 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B. J.Biol.Chem., 290, 2015
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