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3RBV
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Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata incomplex with NADP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Holden, H.M, Kubiak, R.L.
登録日2011-03-30
公開日2011-06-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
4ZLI
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BU of 4zli by Molmil
Cellobionic acid phosphorylase - 3-O-beta-D-glucopyranosyl-alpha-D-glucopyranuronic acid complex
分子名称: CHLORIDE ION, GLYCEROL, Putative b-glycan phosphorylase, ...
著者Nam, Y.W, Arakawa, T, Fushinobu, S.
登録日2015-05-01
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
J.Biol.Chem., 290, 2015
5EQY
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BU of 5eqy by Molmil
Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)
分子名称: 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
7DB4
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BU of 7db4 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form
分子名称: 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
登録日2020-10-18
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
3MHC
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BU of 3mhc by Molmil
Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket
分子名称: (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2010-04-07
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6I53
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BU of 6i53 by Molmil
Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R.
登録日2018-11-12
公開日2019-01-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer.
Nature, 565, 2019
4PS7
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Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
分子名称: N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4Z3X
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BU of 4z3x by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA
分子名称: 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ...
著者Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
登録日2015-04-01
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
3HM4
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BU of 3hm4 by Molmil
CRYSTAL STRUCTURE OF A CHEMOTAXIS PROTEIN CHEX (DDE_0281) FROM DESULFOVIBRIO DESULFURICANS SUBSP. AT 1.30 A RESOLUTION
分子名称: Chemotaxis protein CheX, GLYCEROL, UNKNOWN LIGAND
著者Joint Center for Structural Genomics (JCSG)
登録日2009-05-28
公開日2009-06-23
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of Chemotaxis protein CheX (YP_386777.1) from DESULFOVIBRIO DESULFURICANS G20 at 1.30 A resolution
To be published
3ZX0
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BU of 3zx0 by Molmil
NTPDase1 in complex with Heptamolybdate
分子名称: ACETIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2011-08-04
公開日2011-11-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic evidence for a domain motion in rat nucleoside triphosphate diphosphohydrolase (NTPDase) 1.
J. Mol. Biol., 415, 2012
1D1J
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BU of 1d1j by Molmil
CRYSTAL STRUCTURE OF HUMAN PROFILIN II
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, PROFILIN II, ...
著者Nodelman, I.M, Bowman, G.D, Lindberg, U, Schutt, C.E.
登録日1999-09-17
公開日2000-12-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structure determination of human profilin II: A comparative structural analysis of human profilins.
J.Mol.Biol., 294, 1999
3SOG
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BU of 3sog by Molmil
Crystal structure of the BAR domain of human Amphiphysin, isoform 1
分子名称: 1,2-ETHANEDIOL, Amphiphysin, POTASSIUM ION
著者Allerston, C.K, Krojer, T, Chaikuad, A, Cooper, C.D.O, Berridge, G, Savitsky, P, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2011-06-30
公開日2011-07-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献

4JN9
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BU of 4jn9 by Molmil
Crystal structure of the DepH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DepH, ...
著者Li, J, Wang, C, Zhang, Z.M, Zhou, J.H, Cheng, E.
登録日2013-03-14
公開日2014-04-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of an NADP+-independent dithiol oxidase in FK228 biosynthesis.
Sci Rep, 4, 2014
7D9R
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BU of 7d9r by Molmil
Structure of huamn soluble guanylate cyclase in the riociguat and NO-bound state
分子名称: Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ...
著者Chen, L, Liu, R, Kang, Y.
登録日2020-10-14
公開日2021-08-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Activation mechanism of human soluble guanylate cyclase by stimulators and activators.
Nat Commun, 12, 2021
7D9S
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Structure of huamn soluble guanylate cyclase in the YC1 and NO-bound state
分子名称: Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ...
著者Chen, L, Liu, R, Kang, Y.
登録日2020-10-14
公開日2021-08-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Activation mechanism of human soluble guanylate cyclase by stimulators and activators.
Nat Commun, 12, 2021
2V0K
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BU of 2v0k by Molmil
Characterization of Substrate Binding and Catalysis of the Potential Antibacterial Target N-acetylglucosamine-1-phosphate Uridyltransferase (GlmU)
分子名称: BIFUNCTIONAL PROTEIN GLMU, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Mochalkin, I, Lightle, S, Ohren, J.F, Chirgadze, N.Y.
登録日2007-05-14
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Substrate Binding and Catalysis in the Potential Antibacterial Target N-Acetylglucosamine-1-Phosphate Uridyltransferase (Glmu).
Protein Sci., 16, 2007
4F32
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BU of 4f32 by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from Burkholderia vietnamiensis in complex with platencin
分子名称: 1,2-ETHANEDIOL, 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-08
公開日2012-05-23
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1CZF
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BU of 1czf by Molmil
ENDO-POLYGALACTURONASE II FROM ASPERGILLUS NIGER
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, POLYGALACTURONASE II, ZINC ION
著者van Santen, Y, Kalk, K.H, Dijkstra, B.W.
登録日1999-09-02
公開日1999-10-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献1.68-A crystal structure of endopolygalacturonase II from Aspergillus niger and identification of active site residues by site-directed mutagenesis.
J.Biol.Chem., 274, 1999
4Z4Z
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BU of 4z4z by Molmil
Crystal structure of GII.10 P domain in complex with 30mM B antigen (trisaccharide)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Leuthold, M.M, Koromyslova, A.D, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
4J5B
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BU of 4j5b by Molmil
Human Cyclophilin D Complexed with an Inhibitor
分子名称: 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F.
登録日2013-02-08
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
分子名称: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
著者Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
1LPP
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ANALOGS OF REACTION INTERMEDIATES IDENTIFY A UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA LIPASE
分子名称: 1-HEXADECANOSULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Grochulski, P.G, Cygler, M.C.
登録日1995-01-17
公開日1995-04-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase.
Biochemistry, 33, 1994
4ZAK
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Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Birkholz, A.M.
登録日2015-04-13
公開日2015-07-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.824 Å)
主引用文献A Novel Glycolipid Antigen for NKT Cells That Preferentially Induces IFN-gamma Production.
J Immunol., 195, 2015
1YIK
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Structure of Hen egg white lysozyme soaked with Cu-cyclam
分子名称: 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II), ACETATE ION, CHLORIDE ION, ...
著者Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J.
登録日2005-01-12
公開日2005-02-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
4F66
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The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate.
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, FORMIC ACID, ...
著者Tan, K, Michalska, K, Hatzos-Skintges, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-14
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.479 Å)
主引用文献GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013

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