4JTR
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![BU of 4jtr by Molmil](/molmil-images/mine/4jtr) | AKR1C2 complex with ibuprofen | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-24 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of NSAID selectivity for the AKR1C family To be Published
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4JSF
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![BU of 4jsf by Molmil](/molmil-images/mine/4jsf) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-03-22 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
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4JB4
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![BU of 4jb4 by Molmil](/molmil-images/mine/4jb4) | Expression, Purification, Characterization, and Solution NMR Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility | Descriptor: | Cytochrome c peroxidase, mitochondrial, FLUORIDE ION, ... | Authors: | Wohlkonig, A.C. | Deposit date: | 2013-02-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Expression, purification, characterization, and solution nuclear magnetic resonance study of highly deuterated yeast cytochrome C peroxidase with enhanced solubility. Biochemistry, 52, 2013
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4J7H
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![BU of 4j7h by Molmil](/molmil-images/mine/4j7h) | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-benzene and dTDP-rhamnose | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, ... | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | Deposit date: | 2013-02-13 | Release date: | 2013-05-22 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases. Biochemistry, 52, 2013
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4JKV
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![BU of 4jkv by Molmil](/molmil-images/mine/4jkv) | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2013-03-11 | Release date: | 2013-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the human smoothened receptor bound to an antitumour agent. Nature, 497, 2013
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4JHZ
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![BU of 4jhz by Molmil](/molmil-images/mine/4jhz) | Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide | Descriptor: | 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide, Beta-glucuronidase | Authors: | Roberts, A.B, Wallace, B.D, Redinbo, M.R. | Deposit date: | 2013-03-05 | Release date: | 2013-08-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.831 Å) | Cite: | Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity. Mol.Pharmacol., 84, 2013
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4JJJ
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![BU of 4jjj by Molmil](/molmil-images/mine/4jjj) | The structure of T. fusca GH48 D224N mutant | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2013-03-07 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cel48A from Thermobifida fusca: structure and site directed mutagenesis of key residues. Biotechnol.Bioeng., 111, 2014
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6RFQ
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![BU of 6rfq by Molmil](/molmil-images/mine/6rfq) | Cryo-EM structure of a respiratory complex I assembly intermediate with NDUFAF2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | Authors: | Parey, K, Vonck, J. | Deposit date: | 2019-04-16 | Release date: | 2019-12-11 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease. Sci Adv, 5, 2019
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3PTK
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![BU of 3ptk by Molmil](/molmil-images/mine/3ptk) | The crystal structure of rice (Oryza sativa L.) Os4BGlu12 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase Os4BGlu12, ZINC ION | Authors: | Sansenya, S, Opassiri, R, Kuaprasert, B, Chen, C.J, Ketudat Cairns, J.R. | Deposit date: | 2010-12-03 | Release date: | 2011-05-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The crystal structure of rice (Oryza sativa L.) Os4BGlu12, an oligosaccharide and tuberonic acid glucoside-hydrolyzing beta-glucosidase with significant thioglucohydrolase activity Arch.Biochem.Biophys., 510, 2011
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3V2Y
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![BU of 3v2y by Molmil](/molmil-images/mine/3v2y) | Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ... | Authors: | Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2011-12-12 | Release date: | 2012-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a lipid G protein-coupled receptor. Science, 335, 2012
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3PUI
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![BU of 3pui by Molmil](/molmil-images/mine/3pui) | Cocaine Esterase with mutations G4C, S10C | Descriptor: | CHLORIDE ION, Cocaine esterase, SODIUM ION | Authors: | Nance, M.R, Tesmer, J.J.G. | Deposit date: | 2010-12-04 | Release date: | 2011-09-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time. Mol.Pharmacol., 80, 2011
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3GTS
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![BU of 3gts by Molmil](/molmil-images/mine/3gts) | Crystal Structure of Dicamba Monooxygenase with Non-heme Iron and Dicamba | Descriptor: | 3,6-dichloro-2-methoxybenzoic acid, DdmC, FE (III) ION, ... | Authors: | Rydel, T.J, Sturman, E.J, Moshiri, F, Brown, G.R, Qi, Y. | Deposit date: | 2009-03-28 | Release date: | 2009-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation. J.Mol.Biol., 392, 2009
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3PNG
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![BU of 3png by Molmil](/molmil-images/mine/3png) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2-fluoro-2-(3-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S, Poulos, T.L. | Deposit date: | 2010-11-18 | Release date: | 2011-10-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase. J.Med.Chem., 54, 2011
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3PUZ
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6LLG
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![BU of 6llg by Molmil](/molmil-images/mine/6llg) | Crystal Structure of Fagopyrum esculentum M UGT708C1 | Descriptor: | BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1 | Authors: | Wang, X, Liu, M. | Deposit date: | 2019-12-23 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation. Plant Cell, 32, 2020
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6RK9
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![BU of 6rk9 by Molmil](/molmil-images/mine/6rk9) | |
3GUG
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![BU of 3gug by Molmil](/molmil-images/mine/3gug) | |
6RKO
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![BU of 6rko by Molmil](/molmil-images/mine/6rko) | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | Deposit date: | 2019-04-30 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases. Science, 366, 2019
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4CAC
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![BU of 4cac by Molmil](/molmil-images/mine/4cac) | REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | CARBONIC ANHYDRASE FORM C, ZINC ION | Authors: | Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A. | Deposit date: | 1991-09-05 | Release date: | 1994-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Refined structure of human carbonic anhydrase II at 2.0 A resolution. Proteins, 4, 1988
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4CAR
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![BU of 4car by Molmil](/molmil-images/mine/4car) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-10-08 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem., 57, 2014
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5XAT
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![BU of 5xat by Molmil](/molmil-images/mine/5xat) | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS | Descriptor: | CITRATE ANION, Citrate-sodium symporter, SODIUM ION, ... | Authors: | Jin, M.S, Kim, J.W, Kim, S, Kim, S, Lee, H, Lee, J.-O. | Deposit date: | 2017-03-14 | Release date: | 2017-06-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.76 Å) | Cite: | Structural insights into the elevator-like mechanism of the sodium/citrate symporter CitS Sci Rep, 7, 2017
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3LPP
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![BU of 3lpp by Molmil](/molmil-images/mine/3lpp) | Crystal complex of N-terminal sucrase-isomaltase with kotalanol | Descriptor: | (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sim, L, Rose, D.R. | Deposit date: | 2010-02-05 | Release date: | 2010-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains. J.Biol.Chem., 285, 2010
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6RKZ
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![BU of 6rkz by Molmil](/molmil-images/mine/6rkz) | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | Deposit date: | 2019-04-30 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Functional assembly of nitrous oxide reductase provides insights into copper site maturation. Proc.Natl.Acad.Sci.USA, 116, 2019
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3LKZ
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6LOM
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![BU of 6lom by Molmil](/molmil-images/mine/6lom) | |