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3E2V
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Crystal structure of an uncharacterized amidohydrolase from Saccharomyces cerevisiae
分子名称: 3'-5'-exonuclease, GLYCEROL, MAGNESIUM ION
著者Bonanno, J.B, Dickey, M, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-08-06
公開日2008-08-26
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an uncharacterized amidohydrolase from Saccharomyces cerevisiae
To be Published
6CIR
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BU of 6cir by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime
分子名称: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Fehl, C.
登録日2018-02-25
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
2X8C
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BU of 2x8c by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni with the reduced C-terminal end
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN GLUTATHIONE REDUCTASE, ...
著者Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
登録日2010-03-08
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
2X9I
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Structure of the Mutant D105N of Phycoerythrobilin Synthase PebS from the Cyanophage P-SSM2 in complex with bound substrate Biliverdin IXA
分子名称: BILIVERDINE IX ALPHA, PHYCOBILIN SYNTHASE, SULFATE ION
著者Busch, A.W.U, Frankenberg-Dinkel, N, Hofmann, E.
登録日2010-03-20
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Radical Mechanism of Cyanophage Phycoerythrobilin Synthase (Pebs).
Biochem.J., 433, 2011
6GUL
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BU of 6gul by Molmil
Siderophore hydrolase EstB mutant E211Q from Aspergillus fumigatus
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Ecker, F, Haas, H, Groll, M, Huber, E.M.
登録日2018-06-19
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
3E3H
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BU of 3e3h by Molmil
Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta
分子名称: COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase
著者Li, P, Reeves, T.E, Grimsley, J.K, Wild, J.R.
登録日2008-08-07
公開日2008-10-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities.
Protein Eng.Des.Sel., 21, 2008
4O1Q
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Crystal Structure of the Q103N-MauG/pre-Methylamine Dehydrogenase Complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yukl, E.T, Wilmot, C.W.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Site-directed mutagenesis of Gln103 reveals the influence of this residue on the redox properties and stability of MauG.
Biochemistry, 53, 2014
6KDY
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BU of 6kdy by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
分子名称: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, Isocitrate dehydrogenase [NAD] subunit alpha, ...
著者Sun, P, Ding, J.
登録日2019-07-03
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
5VR8
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BU of 5vr8 by Molmil
Human UDP-Glucose Dehydrogenase with UDP-Xylose Bound to the Co-enzyme Site
分子名称: ADENOSINE-5'-DIPHOSPHATE, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE
著者Kadirvelraj, R, Beattie, N.R, Wood, Z.A.
登録日2017-05-10
公開日2017-07-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献The entropic force generated by intrinsically disordered segments tunes protein function.
Nature, 563, 2018
2WOV
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Trypanosoma brucei trypanothione reductase with bound NADP.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-30
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
4PH9
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The structure of Ibuprofen bound to cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 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Orlando, B.J, Lucido, M.J, Malkowski, M.G.
登録日2014-05-05
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
3GPX
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BU of 3gpx by Molmil
Sequence-matched MutM Interrogation Complex 4 (IC4)
分子名称: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*CP*TP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*GP*AP*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ...
著者Spong, M.C, Qi, Y, Verdine, G.L.
登録日2009-03-23
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme.
Nature, 462, 2009
3GQ5
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Sequence-matched MutM Interrogation Complex 5 (IC5)
分子名称: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*CP*CP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*T*CP*CP*GP*GP*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ...
著者Qi, Y, Verdine, G.L.
登録日2009-03-23
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme.
Nature, 462, 2009
2WSK
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BU of 2wsk by Molmil
Crystal structure of Glycogen Debranching Enzyme GlgX from Escherichia coli K-12
分子名称: GLYCOGEN DEBRANCHING ENZYME, SULFATE ION
著者Song, H.-N, Park, J.-T, Jung, T.-Y, Park, K.-H, Woo, E.-J.
登録日2009-09-08
公開日2010-09-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Rationale for the Short Branched Substrate Specificity of the Glycogen Debranching Enzyme Glgx.
Proteins, 78, 2010
2WPE
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Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日2009-08-06
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
4NEW
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Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
分子名称: 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ...
著者Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F.
登録日2013-10-30
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
4NG1
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BU of 4ng1 by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 1.9 M CsCl
分子名称: CESIUM ION, CHLORIDE ION, Lysozyme C
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-01
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4PLF
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BU of 4plf by Molmil
Crystal structure of ancestral apicomplexan lactate dehydrogenase with lactate.
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID, ...
著者Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
登録日2014-05-16
公開日2014-07-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
4NFV
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Previously de-ionized HEW lysozyme batch crystallized in 1.1 M MnCl2
分子名称: CHLORIDE ION, Lysozyme C, MANGANESE (II) ION
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-01
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
3H7I
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Structure of the metal-free D132N T4 RNase H
分子名称: Ribonuclease H, SULFATE ION
著者Tomanicek, S.J, Mueser, T.C.
登録日2009-04-27
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
To be Published
4NGI
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Previously de-ionized HEW lysozyme crystallized in 1.0 M RbCl and collected at 125K
分子名称: CHLORIDE ION, Lysozyme C, RUBIDIUM ION
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-02
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4PLZ
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Crystal structure of Plasmodium falciparum lactate dehydrogenase mutant W107fA.
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase, OXAMIC ACID
著者Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
登録日2014-05-20
公開日2014-07-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
6JUG
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BU of 6jug by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Li, C, Wan, Q.
登録日2019-04-13
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5W3U
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Crystal structure of SsoPox AsB5 mutant (V27A-I76T-Y97W-Y99F-L130P-L226V)
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
登録日2017-06-08
公開日2017-12-20
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017

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