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3RI7
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Toluene 4 monooxygenase HD Mutant G103L
分子名称: ACETATE ION, FE (III) ION, Toluene-4-monooxygenase system protein A, ...
著者Bailey, L.J, Elsen, N.L, Fox, B.G.
登録日2011-04-13
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Biochemistry, 51, 2012
3RO6
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Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion
分子名称: GLYCEROL, MAGNESIUM ION, Putative chloromuconate cycloisomerase, ...
著者Lukk, T, Sakai, A, Song, L, Gerlt, J.A, Nair, S.K.
登録日2011-04-25
公開日2011-05-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RKO
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BU of 3rko by Molmil
Crystal structure of the membrane domain of respiratory complex I from E. coli at 3.0 angstrom resolution
分子名称: 7-cyclohexylheptyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, EICOSANE, NADH-QUINONE OXIDOREDUCTASE SUBUNIT A, ...
著者Efremov, R.G, Sazanov, L.A.
登録日2011-04-18
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the membrane domain of respiratory complex I.
Nature, 476, 2011
3RRJ
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Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P5-Di(adenosine-5') pentaphosphate
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-04-29
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RRY
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H-Ras crosslinked control, soaked in aqueous solution: one of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RS4
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H-Ras soaked in 60% 1,6-hexanediol: 1 of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, HEXANE-1,6-DIOL, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RO9
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Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006)
分子名称: 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Strain CBS138 chromosome J complete sequence
著者Paulsen, J.L, Anderson, A.C.
登録日2011-04-25
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
3ROK
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Crystal structure of human CD38 in complex with compound CZ-27
分子名称: 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
著者Zhang, H, Lee, H.C, Hao, Q.
登録日2011-04-26
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROX
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BU of 3rox by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Theophylline
分子名称: Apolipoprotein A-I-binding protein, SULFATE ION, THEOPHYLLINE
著者Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
登録日2011-04-26
公開日2012-07-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R10
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Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex
分子名称: Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ...
著者Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-03-09
公開日2011-04-20
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RQ5
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Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with CoA
分子名称: ADP/ATP-dependent NAD(P)H-hydrate dehydratase, COENZYME A, GLYCEROL
著者Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-27
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RQH
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BU of 3rqh by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P6-Di(adenosine-5') hexaphosphate
分子名称: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, MAGNESIUM ION, P1,P6-Di(adenosine-5') hexaphosphate
著者Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-28
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R30
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MK2 kinase bound to Compound 2
分子名称: 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid, MAP kinase-activated protein kinase 2
著者Oubrie, A, Fisher, M.
登録日2011-03-15
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3RSO
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BU of 3rso by Molmil
H-Ras soaked in 20% S,R,S-bisfuranol: 1 of 10 in MSCS set
分子名称: (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RSY
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BU of 3rsy by Molmil
Cellobiose phosphorylase from Cellulomonas uda in complex with sulfate and glycerol
分子名称: Cellobiose phosphorylase, GLYCEROL, SULFATE ION
著者Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
登録日2011-05-02
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
3R3M
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BU of 3r3m by Molmil
Crystal structure of the FAF1 UBX domain
分子名称: FAS-associated factor 1, PHOSPHATE ION
著者Haenzelmann, P, Schindelin, H.
登録日2011-03-16
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
3R40
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Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R16
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BU of 3r16 by Molmil
Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R, Supuran, C.T.
登録日2011-03-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
3R1L
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BU of 3r1l by Molmil
Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Mg2+ bound
分子名称: 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', Class I ligase ribozyme, MAGNESIUM ION, ...
著者Shechner, D.M, Bartel, D.P.
登録日2011-03-10
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.125 Å)
主引用文献The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
3R2Q
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Crystal Structure Analysis of yibF from E. Coli
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, PHOSPHATE ION, ...
著者Ladner, J.E, Harp, J, Schaab, M, Stournan, N.V, Armstrong, R.N.
登録日2011-03-14
公開日2012-03-14
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural and Functional Genomics of YibF, a Glutathione Transferase Homologue from Escherichia coli
to be published
3R6Y
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Crystal structure of chymotrypsin-treated aspartase from Bacillus sp. YM55-1
分子名称: Aspartase, CALCIUM ION
著者Fibriansah, G, Puthan Veetil, V, Poelarends, G.J, Thunnissen, A.-M.W.H.
登録日2011-03-22
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the catalytic mechanism of aspartate ammonia lyase.
Biochemistry, 50, 2011
3R3X
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BU of 3r3x by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R90
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BU of 3r90 by Molmil
Crystal structure of Malignant T cell-amplified sequence 1 protein
分子名称: GLYCEROL, Malignant T cell-amplified sequence 1, SULFATE ION, ...
著者Hong, B, Dimov, S, Tempel, W, Tong, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-03-24
公開日2011-04-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Malignant T cell-amplified sequence 1 protein
to be published
3R6D
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BU of 3r6d by Molmil
Crystal structure of NAD-dependent epimerase/dehydratase from Veillonella parvula DSM 2008 with Cz-methylated lysine
分子名称: NAD-dependent epimerase/dehydratase
著者Chang, C, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-21
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of NAD-dependent epimerase/dehydratase from Veillonella parvula DSM 2008 with Cz-methylated lysine
To be Published
3R6M
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Crystal structure of Vibrio parahaemolyticus YeaZ
分子名称: YeaZ, resuscitation promoting factor
著者Roujeinikova, A, Aydin, I.
登録日2011-03-21
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Analysis of the Essential Resuscitation Promoting Factor YeaZ Suggests a Mechanism of Nucleotide Regulation through Dimer Reorganization.
Plos One, 6, 2011

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