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PDB: 452 件
2GAB
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-3,3',5,4'-tetrachlorobiphenyl
分子名称: 3,3',4',5-TETRACHLOROBIPHENYL-4-OL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-03-08
公開日2006-03-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G5U
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4,4'-dihydroxy-3,3',5,5'-tetrachlorobiphenyl
分子名称: 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-02-23
公開日2006-03-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
2G9K
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Human Transthyretin (TTR) Complexed with Hydroxylated polychlorinated Biphenyl-4-hydroxy-2',3,3',4',5-Pentachlorobiphenyl
分子名称: 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL, Transthyretin
著者Palaninathan, S.K, Smith, C, Safe, S.H, Kelly, J.W, Sacchettini, J.C.
登録日2006-03-06
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Hydroxylated polychlorinated biphenyls selectively bind transthyretin in blood and inhibit amyloidogenesis: rationalizing rodent PCB toxicity
Chem.Biol., 11, 2004
1XL4
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Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1XL6
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Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ...
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1G99
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AN ANCIENT ENZYME: ACETATE KINASE FROM METHANOSARCINA THERMOPHILA
分子名称: ACETATE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION
著者Buss, K.A, Cooper, D.R, Ingram-Smith, C, Ferry, J.G, Sanders, D.A, Hasson, M.S.
登録日2000-11-22
公開日2000-12-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Urkinase: structure of acetate kinase, a member of the ASKHA superfamily of phosphotransferases.
J.Bacteriol., 183, 2001
3ETC
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BU of 3etc by Molmil
2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMP-binding protein, FORMYL GROUP, ...
著者Shah, M.B, Gulick, A.M, Smith, K.S, Ingram-Smith, C.
登録日2008-10-07
公開日2009-07-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2CG5
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Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A
分子名称: COENZYME A, FATTY ACID SYNTHASE, L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, ...
著者Bunkoczi, G, Joshi, A, Papagrigoriu, E, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Smith, S, Oppermann, U.
登録日2006-02-27
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism and Substrate Recognition of Human Holo Acp Synthase.
Chem.Biol., 14, 2007
1MXF
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BU of 1mxf by Molmil
Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi
分子名称: METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2
著者Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D.
登録日2002-10-02
公開日2003-10-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
J.Struct.Biol., 152, 2005
1MXH
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Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi
分子名称: DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2
著者Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D.
登録日2002-10-02
公開日2003-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor.
J.Struct.Biol., 152, 2005
1D5C
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BU of 1d5c by Molmil
CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM RAB6 COMPLEXED WITH GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAB6 GTPASE
著者Chattopadhyay, D, Langsley, G, Carson, M, Recacha, R, DeLucas, L, Smith, C.
登録日1999-10-06
公開日2000-08-30
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the nucleotide-binding domain of Plasmodium falciparum rab6 in the GDP-bound form.
Acta Crystallogr.,Sect.D, 56, 2000
1FC4
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2-AMINO-3-KETOBUTYRATE COA LIGASE
分子名称: 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE, 2-AMINO-3-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者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)
登録日2000-07-17
公開日2001-05-02
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1FGS
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BU of 1fgs by Molmil
FOLYLPOLYGLUTAMATE SYNTHETASE FROM LACTOBACILLUS CASEI
分子名称: FOLYLPOLYGLUTAMATE SYNTHETASE, MAGNESIUM ION, PYROPHOSPHATE 2-
著者Sun, X, Bognar, A, Baker, E, Smith, C.
登録日1998-04-29
公開日1999-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural homologies with ATP- and folate-binding enzymes in the crystal structure of folylpolyglutamate synthetase.
Proc.Natl.Acad.Sci.USA, 95, 1998
3S86
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BU of 3s86 by Molmil
Crystal Structure of TM0159 with bound IMP
分子名称: INOSINIC ACID, Nucleoside-triphosphatase, SULFATE ION
著者Sommerhalter, M, Smith, C, Awwad, K, Desai, A.
登録日2011-05-27
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima.
Acta Crystallogr.,Sect.D, 69, 2013
4DMX
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BU of 4dmx by Molmil
Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者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.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(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
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
分子名称: (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, ...
著者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.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(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
1KON
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BU of 1kon by Molmil
CRYSTAL STRUCTURE OF E.COLI YEBC
分子名称: Protein yebC
著者Jia, J, Smith, C, Lunin, V.V, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2001-12-21
公開日2002-07-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献UNPUBLISHED
TO BE PUBLISHED
4ZVJ
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Structure of human triose phosphate isomerase K13M
分子名称: POTASSIUM ION, SODIUM ION, Triosephosphate isomerase
著者Amrich, C.G, Smith, C, Heroux, A, VanDemark, A.P.
登録日2015-05-18
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6996 Å)
主引用文献Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency.
Biochim. Biophys. Acta, 1852, 2015
2XDP
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BU of 2xdp by Molmil
Crystal structure of the tudor domain of human JMJD2C
分子名称: LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION
著者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.
登録日2010-05-06
公開日2010-06-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal Structure of the Tudor Domain of Human Jmjd2C
To be Published
2Y05
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Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者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.
登録日2010-11-30
公開日2011-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Human Leukotriene B4 12-Hydroxydehydrogenase in Complex with Nadp and Raloxifene
To be Published
2XML
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BU of 2xml by Molmil
Crystal structure of human JMJD2C catalytic domain
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ...
著者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.
登録日2010-07-28
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
2FV8
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BU of 2fv8 by Molmil
The crystal structure of RhoB in the GDP-bound state
分子名称: GUANOSINE-5'-DIPHOSPHATE, Rho-related GTP-binding protein RhoB
著者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)
登録日2006-01-30
公開日2006-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of RhoB in the GDP-bound state
To be Published
4URJ
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BU of 4urj by Molmil
Crystal structure of human BJ-TSA-9
分子名称: 1,2-ETHANEDIOL, PROTEIN FAM83A
著者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.
登録日2014-06-30
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal Structure of Human Bj-Tsa-9
To be Published
5L78
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BU of 5l78 by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
著者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.
登録日2016-06-02
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published
4V06
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Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
分子名称: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
著者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.
登録日2014-09-11
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published

224572

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