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3ST8
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BU of 3st8 by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with COENZYME A, GLUCOSAMINE 1-PHOSPHATE and URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
分子名称: 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU, COENZYME A, ...
著者Jagtap, P.A, Prakash, B.
登録日2011-07-09
公開日2012-08-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA
to be published
3SPU
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BU of 3spu by Molmil
apo NDM-1 Crystal Structure
分子名称: Beta-lactamase NDM-1, ZINC ION
著者Strynadka, N.C.J, King, D.T.
登録日2011-07-03
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of New Delhi metallo-beta-lactamase reveals molecular basis for antibiotic resistance
Protein Sci., 20, 2011
3SUE
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BU of 3sue by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SQD
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BU of 3sqd by Molmil
Crystal structure of human PTIP BRCT5/6-gamma H2AX complex
分子名称: Histone H2A.x, PAX-interacting protein 1
著者Yan, W, Shao, Z.H.
登録日2011-07-05
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Crystal structure of human PTIP BRCT5/6-gamma H2AX
To be Published
3SV5
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BU of 3sv5 by Molmil
Engineered medium-affinity halide-binding protein derived from YFP: iodide complex
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Green fluorescent protein, ...
著者Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
登録日2011-07-12
公開日2012-07-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Visualization of Synaptic Inhibition with an Optogenetic Sensor Developed by Cell-Free Protein Engineering Automation.
J.Neurosci., 33, 2013
3SQF
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BU of 3sqf by Molmil
Crystal structure of monomeric M-PMV retroviral protease
分子名称: Protease
著者Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders
登録日2011-07-05
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6324 Å)
主引用文献Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Nat.Struct.Mol.Biol., 18, 2011
3SQN
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BU of 3sqn by Molmil
Putative Mga family transcriptional regulator from Enterococcus faecalis
分子名称: Conserved domain protein
著者Osipiuk, J, Wu, R, Jedrzejczak, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-07-05
公開日2011-07-20
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Putative Mga family transcriptional regulator from Enterococcus faecalis.
To be Published
3SWF
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BU of 3swf by Molmil
CNGA1 621-690 containing CLZ domain
分子名称: ZINC ION, cGMP-gated cation channel alpha-1
著者Shuart, N.G, Haitin, Y, Camp, S.S, Black, K.D, Zagotta, W.N.
登録日2011-07-13
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Molecular mechanism for 3:1 subunit stoichiometry of rod cyclic nucleotide-gated ion channels.
Nat Commun, 2, 2011
3SR9
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BU of 3sr9 by Molmil
Crystal structure of mouse PTPsigma
分子名称: Receptor-type tyrosine-protein phosphatase S
著者Wang, J, Hou, L, Li, J, Ding, J.
登録日2011-07-07
公開日2012-05-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the homology and differences between mouse protein tyrosine phosphatase-sigma and human protein tyrosine phosphatase-sigma
Acta Biochim.Biophys.Sin., 43, 2011
3SWK
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BU of 3swk by Molmil
Crystal structure of vimentin coil1B fragment
分子名称: Vimentin
著者Chernyatina, A.A, Strelkov, S.V.
登録日2011-07-14
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
3SUF
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BU of 3suf by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SXA
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BU of 3sxa by Molmil
Crystal structure of ABBB+UDP+Gal with Glycerol as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXG
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BU of 3sxg by Molmil
Crystal structure of AAAA+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SV7
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BU of 3sv7 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SZY
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BU of 3szy by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in APO form
分子名称: ZINC ION, phosphonoacetate hydrolase
著者Agarwal, V, Nair, S.K.
登録日2011-07-19
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3SYA
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BU of 3sya by Molmil
Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) in complex with sodium and PIP2
分子名称: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION, ...
著者Whorton, M.R, MacKinnon, R.
登録日2011-07-16
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium.
Cell(Cambridge,Mass.), 147, 2011
3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-25
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T43
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BU of 3t43 by Molmil
Crystal Structure of HIV Epitope-Scaffold 4E10_1XIZA_S0_006_C
分子名称: HIV Epitope-Scaffold 4E10_1XIZA_S0_006_C
著者Holmes, M.A, Strong, R.K.
登録日2011-07-25
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution structure prediction of a circular permutation loop.
Protein Sci., 20, 2011
3T46
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BU of 3t46 by Molmil
Crystal structure of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
分子名称: SCIN-D, SODIUM ION
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T49
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BU of 3t49 by Molmil
Crystal structure of truncated form of Staphylococcal Complement Inhibitor B (SCIN-B) at 1.5 Angstrom
分子名称: Fibrinogen-binding protein, GLYCEROL, SULFATE ION
著者Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
登録日2011-07-25
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T07
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BU of 3t07 by Molmil
Crystal structure of S. aureus Pyruvate Kinase in complex with a naturally occurring bis-indole alkaloid
分子名称: (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one, PHOSPHATE ION, Pyruvate kinase
著者Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
登録日2011-07-19
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as a target for bis-indole alkaloids with antibacterial activities.
J.Biol.Chem., 286, 2011
3T5P
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BU of 3t5p by Molmil
Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
分子名称: BmrU protein, MAGNESIUM ION
著者Hou, J, Zheng, H, Chruszcz, M, Cooper, D.R, Onopriyenko, O, Grimshaw, S, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-27
公開日2011-09-07
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
To be Published
3T2A
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BU of 3t2a by Molmil
TMAO-grown cubic insulin (porcine)
分子名称: Insulin A chain, Insulin B chain, trimethylamine oxide
著者Cahn, J, Venkat, M, Marshall, H, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T8O
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BU of 3t8o by Molmil
Rhodopsin kinase (GRK1) L166K mutant at 2.5A resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Tesmer, J.J.G, Singh, P, Nance, M.R.
登録日2011-08-01
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a monomeric variant of rhodopsin kinase at 2.5 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012

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