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3UA5
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Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine
分子名称: Amlodipine, Cytochrome P450 2B6, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2011-10-21
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
5EAU
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5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM
分子名称: 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION, TRIFLUOROFURNESYL DIPHOSPHATE
著者Starks, C.M, Back, K, Chappell, J, Noel, J.P.
登録日1997-12-11
公開日1998-04-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase.
Science, 277, 1997
5EC3
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BU of 5ec3 by Molmil
Structural insight into the catalyitc mechanism of human 4-Hydroxyphenylpyruvate dioxygenase
分子名称: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, W.C, Yang, G.F.
登録日2015-10-20
公開日2015-11-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into the catalyitc mechanism of human 4-Hydroxyphenylpyruvate dioxygenase
To be published
5DN5
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Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
分子名称: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
著者Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
登録日2015-09-09
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
5E2V
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BU of 5e2v by Molmil
Anti-TAU AT8 FAB with doubly phosphorylated TAU peptide
分子名称: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, GLYCEROL, ...
著者Malia, T, Teplyakov, A.
登録日2015-10-01
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5DY2
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Crystal structure of Dbr2 with mutation M27L
分子名称: 1,6-DIHYDROXY NAPHTHALENE, Artemisinic aldehyde Delta(11(13)) reductase, FLAVIN MONONUCLEOTIDE
著者Li, L, Chen, T.T, Xu, Y.C.
登録日2015-09-24
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The Crystal structure of Dbr2
to be published
1MJ0
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BU of 1mj0 by Molmil
SANK E3_5: an artificial Ankyrin repeat protein
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SANK E3_5 Protein, SULFATE ION
著者Kohl, A, Binz, H.K, Forrer, P, Stumpp, M.T, Plueckthun, A, Gruetter, M.G.
登録日2002-08-26
公開日2003-01-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Designed to be stable: Crystal structure of a consensus ankyrin repeat protein
Proc.Natl.Acad.Sci.USA, 100, 2003
5EA2
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Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
登録日2015-10-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
5EAI
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Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a
分子名称: (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A.
登録日2015-10-16
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
5E65
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The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322)
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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
5E79
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Macromolecular diffractive imaging using imperfect crystals
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, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
登録日2015-10-12
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5E9R
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BU of 5e9r by Molmil
X-ray structure of the complex between lysozyme and the compound fac, cis-[RuII(CO)3Cl2(N3-MBI), MBI=N-methyl-benzimidazole
分子名称: CARBON MONOXIDE, CHLORIDE ION, Lysozyme C, ...
著者Merlino, A.
登録日2015-10-15
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献{Ru(CO)x}-core Complexes with N-Methylbenzimidazole (MBI) and 5,6-Dimethylbenzimidazole (DMBI) as Possible Metal Based Drugs and CO Release Materials. Synthesis, X-ray Structure and Evaluation of Cytotoxic Activity against Human Cancer Cells
To Be Published
5DYZ
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Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine
分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Di Nardo, G, Dell'Angelo, V, Gilardi, G.
登録日2015-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.967 Å)
主引用文献Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Arch.Biochem.Biophys., 602, 2016
5DZG
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BU of 5dzg by Molmil
Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a xyloglucan tetradecasaccharide
分子名称: VvEG16, endo-glucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H.
登録日2015-09-25
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
5E2N
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BU of 5e2n by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2015-10-01
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
2ZB3
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BU of 2zb3 by Molmil
Crystal structure of mouse 15-ketoprostaglandin delta-13-reductase in complex with NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 2
著者Wu, Y.H, Wang, A.H.J, Ko, T.P, Guo, R.T, Hu, S.M, Chuang, L.M.
登録日2007-10-16
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Structure, 16, 2008
5E64
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BU of 5e64 by Molmil
Hemagglutinin-esterase-fusion protein structure of influenza D virus
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, CACODYLATE ION, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
5E7Y
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BU of 5e7y by Molmil
Crystal structure of P450 BM3 heme domain M7 variant
分子名称: Bifunctional P-450/NADPH-P450 reductase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U.
登録日2015-10-13
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of P450 BM3 heme domain M7 variant
To Be Published
5EA9
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Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0130
分子名称: 1,2-ETHANEDIOL, 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, COBALT HEXAMMINE(III), ...
著者Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K.
登録日2015-10-15
公開日2016-10-19
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
5EBA
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Crystal structure of aromatic mutant (Y343A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: Beta-xylanase, MAGNESIUM ION, SODIUM ION
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2015-10-18
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of aromatic mutant (Y343A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
To Be Published
5E09
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Structural Insight of a Trimodular Halophilic Cellulase with a Family 46 Carbohydrate-Binding Module
分子名称: Cellulase
著者Zhang, H.J, Zhang, H.D.
登録日2015-09-28
公開日2016-10-05
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Structural Insight of a Trimodular Halophilic Cellulase with a Family 46 Carbohydrate-Binding Module
To Be Published
5E2M
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Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2015-10-01
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
2ZSK
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BU of 2zsk by Molmil
Crystal structure of PH1733, an aspartate racemase homologue, from Pyrococcus horikoshii OT3
分子名称: 226aa long hypothetical aspartate racemase
著者Kita, A, Tasaki, S, Yohda, M, Miki, K.
登録日2008-09-12
公開日2008-10-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of PH1733, an aspartate racemase homologue, from pyrococcus horikoshii OT3
Proteins, 74, 2009
5EBH
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Crystal Structure HEW Lysozyme processed with the CrystalDirect automated mounting and cryo-cooling technology
分子名称: Lysozyme C
著者Zander, U, Hoffmann, G, Cornaciu, I, Marquez, J.A.
登録日2015-10-19
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Automated harvesting and processing of protein crystals through laser photoablation.
Acta Crystallogr D Struct Biol, 72, 2016
5EAF
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Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole
分子名称: 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016

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