4JHT
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![BU of 4jht by Molmil](/molmil-images/mine/4jht) | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-03-05 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation. Chem Sci, 4, 2013
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4JKM
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4JQ4
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![BU of 4jq4 by Molmil](/molmil-images/mine/4jq4) | AKR1C2 complex with indomethacin | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, INDOMETHACIN, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JPG
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![BU of 4jpg by Molmil](/molmil-images/mine/4jpg) | 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, Pyruvate kinase isozymes M1/M2 | Authors: | Greasley, S.E, Hickey, M, Phonephaly, H, Cronin, C. | Deposit date: | 2013-03-19 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. Bioorg.Med.Chem.Lett., 23, 2013
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4FX9
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![BU of 4fx9 by Molmil](/molmil-images/mine/4fx9) | Structure of the Pyrococcus horikoshii CoA persulfide/polysulfide reductase | Descriptor: | COENZYME A, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Herwald, S, Lopez, K.M, Crane III, E.J, Sazinsky, M.H. | Deposit date: | 2012-07-02 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and substrate specificity of the pyrococcal coenzyme A disulfide reductases/polysulfide reductases (CoADR/Psr): implications for S(0)-based respiration and a sulfur-dependent antioxidant system in Pyrococcus. Biochemistry, 52, 2013
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4GBE
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4GFR
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![BU of 4gfr by Molmil](/molmil-images/mine/4gfr) | Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, Peptide ABC transporter, ... | Authors: | Xu, S, Li, X, Gu, L, Roseman, R, Stock, A.M. | Deposit date: | 2012-08-03 | Release date: | 2013-08-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chitin catabolic cascade in the marine bacterium Vibrio cholerae: properties, structure and functions of a periplasmic chitooligosaccharide binding protein (CBP) To be Published
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4FVY
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![BU of 4fvy by Molmil](/molmil-images/mine/4fvy) | Structure of rat nNOS heme domain in complex with N(omega)-hydroxy- N(omega)-methyl-L-arginine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2012-06-29 | Release date: | 2013-05-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction Biochemistry, 52, 2013
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4FYS
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![BU of 4fys by Molmil](/molmil-images/mine/4fys) | Human aminopeptidase N (CD13) in complex with angiotensin IV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | Authors: | Wong, A.H, Rini, J.M. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. J.Biol.Chem., 287, 2012
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4G0U
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![BU of 4g0u by Molmil](/molmil-images/mine/4g0u) | Human topoisomerase IIbeta in complex with DNA and amsacrine | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | Authors: | Wu, C.C, Li, T.K, Li, Y.C, Chan, N.L. | Deposit date: | 2012-07-10 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs Nucleic Acids Res., 41, 2013
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4G1U
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![BU of 4g1u by Molmil](/molmil-images/mine/4g1u) | X-ray structure of the bacterial heme transporter HmuUV from Yersinia pestis | Descriptor: | Hemin import ATP-binding protein HmuV, Hemin transport system permease protein hmuU, PHOSPHATE ION | Authors: | Woo, J.-S, Goetz, B.A, Zeltina, A, Locher, K.P. | Deposit date: | 2012-07-11 | Release date: | 2012-12-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.008 Å) | Cite: | X-ray structure of the Yersinia pestis heme transporter HmuUV. Nat.Struct.Mol.Biol., 19, 2012
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4G2G
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![BU of 4g2g by Molmil](/molmil-images/mine/4g2g) | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol | Descriptor: | 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ... | Authors: | Hudson, S.A. | Deposit date: | 2012-07-12 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G2R
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![BU of 4g2r by Molmil](/molmil-images/mine/4g2r) | Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis | Descriptor: | (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase | Authors: | Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-07-12 | Release date: | 2014-02-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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4G3M
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![BU of 4g3m by Molmil](/molmil-images/mine/4g3m) | Complex Structure of Bacillus subtilis RibG: The Deamination Process in Riboflavin Biosynthesis | Descriptor: | N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine, Riboflavin biosynthesis protein RibD, ZINC ION, ... | Authors: | Chen, S.C, Shen, C.Y, Yen, T.M, Yu, H.C, Chang, T.H, Lai, W.L, Liaw, S.H. | Deposit date: | 2012-07-15 | Release date: | 2013-02-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Evolution of vitamin B(2) biosynthesis: eubacterial RibG and fungal Rib2 deaminases. Acta Crystallogr.,Sect.D, 69, 2013
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4G4I
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![BU of 4g4i by Molmil](/molmil-images/mine/4g4i) | Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile determined at 1.9 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-glucuronoyl methylesterase, GLYCEROL | Authors: | Charvagi, M.D, Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | Deposit date: | 2012-07-16 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst. Acta Crystallogr.,Sect.D, 69, 2013
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4GA9
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4JSM
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![BU of 4jsm by Molmil](/molmil-images/mine/4jsm) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-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 (2.25 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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4JSG
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![BU of 4jsg by Molmil](/molmil-images/mine/4jsg) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(3-aminopropoxy)phenoxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-(3-aminopropoxy)phenoxy]methyl}-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 (1.94 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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4JHC
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![BU of 4jhc by Molmil](/molmil-images/mine/4jhc) | Crystal structure of the uncharacterized Maf protein YceF from E. coli | Descriptor: | GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2013-03-04 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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4JBW
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![BU of 4jbw by Molmil](/molmil-images/mine/4jbw) | Crystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory protein EIIAglc | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Glucose-specific phosphotransferase enzyme IIA component, Maltose transport system permease protein MalF, ... | Authors: | Chen, S, Oldham, M.L, Davidson, A.L, Chen, J. | Deposit date: | 2013-02-20 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.913 Å) | Cite: | Carbon catabolite repression of the maltose transporter revealed by X-ray crystallography. Nature, 499, 2013
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4JQ2
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![BU of 4jq2 by Molmil](/molmil-images/mine/4jq2) | AKR1C2 complex with sulindac | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, L(+)-TARTARIC ACID, ... | Authors: | Yosaatmadja, Y, Flanagan, J.U, Squire, C.J. | Deposit date: | 2013-03-19 | Release date: | 2014-04-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published
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4JSI
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![BU of 4jsi by Molmil](/molmil-images/mine/4jsi) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-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 (2.09 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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4JHD
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![BU of 4jhd by Molmil](/molmil-images/mine/4jhd) | Crystal Structure of an Actin Dimer in Complex with the Actin Nucleator Cordon-Bleu | Descriptor: | Actin-5C, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Chen, X, Ni, F, Wang, Q. | Deposit date: | 2013-03-04 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural basis of actin filament nucleation by tandem w domains. Cell Rep, 3, 2013
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4JIT
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![BU of 4jit by Molmil](/molmil-images/mine/4jit) | Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | Deposit date: | 2013-03-07 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents. J.Med.Chem., 56, 2013
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4JSJ
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![BU of 4jsj by Molmil](/molmil-images/mine/4jsj) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-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 (1.92 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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