2GAB
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![BU of 2gab by Molmil](/molmil-images/mine/2gab) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl | Descriptor: | 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-08 | Release date: | 2006-03-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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2G5U
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![BU of 2g5u by Molmil](/molmil-images/mine/2g5u) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl | Descriptor: | 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-02-23 | Release date: | 2006-03-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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2G9K
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![BU of 2g9k by Molmil](/molmil-images/mine/2g9k) | Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl | Descriptor: | 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin | Authors: | Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2006-03-06 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity Chem.Biol., 11, 2004
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1XL4
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![BU of 1xl4 by Molmil](/molmil-images/mine/1xl4) | Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1 | Descriptor: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION | Authors: | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | Deposit date: | 2004-09-30 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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1XL6
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![BU of 1xl6 by Molmil](/molmil-images/mine/1xl6) | Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1 | Descriptor: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | Deposit date: | 2004-09-30 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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1G99
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![BU of 1g99 by Molmil](/molmil-images/mine/1g99) | AN ANCIENT ENZYME: ACETATE KINASE FROM METHANOSARCINA THERMOPHILA | Descriptor: | ACETATE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Buss, K.A, Cooper, D.R, Ingram-Smith, C, Ferry, J.G, Sanders, D.A, Hasson, M.S. | Deposit date: | 2000-11-22 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Urkinase: structure of acetate kinase, a member of the ASKHA superfamily of phosphotransferases. J.Bacteriol., 183, 2001
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3ETC
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![BU of 3etc by Molmil](/molmil-images/mine/3etc) | 2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ... | Authors: | Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C. | Deposit date: | 2008-10-07 | Release date: | 2009-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates. Proteins, 77, 2009
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2CG5
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![BU of 2cg5 by Molmil](/molmil-images/mine/2cg5) | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A | Descriptor: | COENZYME A, FATTY ACID SYNTHASE, L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, ... | Authors: | Bunkoczi, G, Joshi, A, Papagrigoriu, E, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Smith, S, Oppermann, U. | Deposit date: | 2006-02-27 | Release date: | 2006-03-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and Substrate Recognition of Human Holo Acp Synthase. Chem.Biol., 14, 2007
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1MXF
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![BU of 1mxf by Molmil](/molmil-images/mine/1mxf) | Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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1MXH
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![BU of 1mxh by Molmil](/molmil-images/mine/1mxh) | Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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1D5C
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![BU of 1d5c by Molmil](/molmil-images/mine/1d5c) | CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE | Authors: | Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C. | Deposit date: | 1999-10-06 | Release date: | 2000-08-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form. Acta Crystallogr.,Sect.D, 56, 2000
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1FC4
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![BU of 1fc4 by Molmil](/molmil-images/mine/1fc4) | 2-AMINO-3-KETOBUTYRATE COA LIGASE | Descriptor: | 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE, 2-AMINO-3-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Schmidt, A, Matte, A, Li, Y, Sivaraman, J, Larocque, R, Schrag, J.D, Smith, C, Sauve, V, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2000-07-17 | Release date: | 2001-05-02 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism. Biochemistry, 40, 2001
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1FGS
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![BU of 1fgs by Molmil](/molmil-images/mine/1fgs) | FOLYLPOLYGLUTAMATE SYNTHETASE FROM LACTOBACILLUS CASEI | Descriptor: | FOLYLPOLYGLUTAMATE SYNTHETASE, MAGNESIUM ION, PYROPHOSPHATE 2- | Authors: | Sun, X, Bognar, A, Baker, E, Smith, C. | Deposit date: | 1998-04-29 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural homologies with ATP- and folate-binding enzymes in the crystal structure of folylpolyglutamate synthetase. Proc.Natl.Acad.Sci.USA, 95, 1998
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3S86
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![BU of 3s86 by Molmil](/molmil-images/mine/3s86) | Crystal Structure of TM0159 with bound IMP | Descriptor: | INOSINIC ACID, Nucleoside-triphosphatase, SULFATE ION | Authors: | Sommerhalter, M, Smith, C, Awwad, K, Desai, A. | Deposit date: | 2011-05-27 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima. Acta Crystallogr.,Sect.D, 69, 2013
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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1KON
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![BU of 1kon by Molmil](/molmil-images/mine/1kon) | CRYSTAL STRUCTURE OF E.COLI YEBC | Descriptor: | Protein yebC | Authors: | Jia, J, Smith, C, Lunin, V.V, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2001-12-21 | Release date: | 2002-07-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | UNPUBLISHED TO BE PUBLISHED
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4ZVJ
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![BU of 4zvj by Molmil](/molmil-images/mine/4zvj) | Structure of human triose phosphate isomerase K13M | Descriptor: | POTASSIUM ION, SODIUM ION, Triosephosphate isomerase | Authors: | Amrich, C.G, Smith, C, Heroux, A, VanDemark, A.P. | Deposit date: | 2015-05-18 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6996 Å) | Cite: | Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency. Biochim. Biophys. Acta, 1852, 2015
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2XDP
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![BU of 2xdp by Molmil](/molmil-images/mine/2xdp) | Crystal structure of the tudor domain of human JMJD2C | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION | Authors: | Yue, W.W, Gileadi, C, Krojer, T, Weisbach, H, Ugochukwu, E, Daniel, M, Phillips, C, Chaikuad, A, von Delft, F, Allerston, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2010-05-06 | Release date: | 2010-06-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal Structure of the Tudor Domain of Human Jmjd2C To be Published
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2Y05
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![BU of 2y05 by Molmil](/molmil-images/mine/2y05) | Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yue, W.W, Shafqat, N, Krojer, T, Pike, A.C.W, von Delft, F, Sethi, R, Savitsky, P, Johansson, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2010-11-30 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene To be Published
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2XML
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![BU of 2xml by Molmil](/molmil-images/mine/2xml) | Crystal structure of human JMJD2C catalytic domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ... | Authors: | Yue, W.W, Gileadi, C, Krojer, T, Pike, A.C.W, von Delft, F, Ng, S, Carpenter, L, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2010-07-28 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family. J.Biol.Chem., 286, 2011
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2FV8
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![BU of 2fv8 by Molmil](/molmil-images/mine/2fv8) | The crystal structure of RhoB in the GDP-bound state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Rho-related GTP-binding protein RhoB | Authors: | Turnbull, A.P, Soundararajan, M, Smee, C, Johansson, C, Schoch, G, Gorrec, F, Bray, J, Papagrigoriou, E, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-30 | Release date: | 2006-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of RhoB in the GDP-bound state To be Published
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4URJ
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![BU of 4urj by Molmil](/molmil-images/mine/4urj) | Crystal structure of human BJ-TSA-9 | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-06-30 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal Structure of Human Bj-Tsa-9 To be Published
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5L78
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![BU of 5l78 by Molmil](/molmil-images/mine/5l78) | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | Authors: | Kopec, J, Pena, I.A, Rembeza, E, Strain-Damerell, C, Chalk, R, Borkowska, O, Goubin, S, Velupillai, S, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Arruda, P, Yue, W.W. | Deposit date: | 2016-06-02 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form) To Be Published
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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