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6GLE
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BU of 6gle by Molmil
Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献hMTH1 in complex with TH scaffold 1
To Be Published
6GLK
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BU of 6glk by Molmil
Crystal structure of hMTH1 N33A in the presence of acetate
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献in progress
To Be Published
6GLR
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BU of 6glr by Molmil
Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate
分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
登録日2018-05-23
公開日2019-02-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献hMTH1 N33G in complex with TH scaffold 1
To Be Published
2WOX
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BU of 2wox by Molmil
Betaine aldehyde dehydrogenase from Pseudomonas aeruginosa with NAD(P) H-catalytic thiol adduct.
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BETA-MERCAPTOETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, ...
著者Gonzalez-Segura, L, Rudino-Pinera, E, Diaz-Sanchez, A.G, Munoz-Clares, R.A.
登録日2009-07-30
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel NADPH-cysteine covalent adduct found in the active site of an aldehyde dehydrogenase.
Biochem. J., 439, 2011
7XEX
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BU of 7xex by Molmil
Crystal strucutre of apoCasDinG
分子名称: CasDinG
著者Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N.
登録日2022-03-31
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
4NHY
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BU of 4nhy by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
著者Horita, S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
2GUY
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BU of 2guy by Molmil
Orthorhombic crystal structure (space group P21212) of Aspergillus niger alpha-amylase at 1.6 A resolution
分子名称: Alpha-amylase A, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Vujicic Zagar, A.
登録日2006-05-02
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Monoclinic crystal form of Aspergillus niger alpha-amylase in complex with maltose at 1.8 angstroms resolution.
Acta Crystallogr.,Sect.F, 62, 2006
6CIQ
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BU of 6ciq by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with coenzyme A bound
分子名称: COENZYME A, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3L0O
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BU of 3l0o by Molmil
Structure of RNA-free Rho transcription termination factor from Thermotoga maritima
分子名称: SODIUM ION, SULFATE ION, Transcription termination factor rho, ...
著者Canals, A, Uson, I, Coll, M.
登録日2009-12-10
公開日2010-05-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Structure of RNA-Free Rho Termination Factor Indicates a Dynamic Mechanism of Transcript Capture
J.Mol.Biol., 400, 2010
7XF0
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BU of 7xf0 by Molmil
Crystal strucutre of CasDinG in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CasDinG
著者Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N.
登録日2022-03-31
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
2WXT
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BU of 2wxt by Molmil
Clostridium perfringens alpha-toxin strain NCTC8237
分子名称: CADMIUM ION, CALCIUM ION, PHOSPHOLIPASE C, ...
著者Justin, N, Naylor, C.E, Basak, A.K.
登録日2009-11-10
公開日2009-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparison of a Nontoxic Variant of Clostridium Perfringens [Alpha]-Toxin with the Toxic Wild-Type Strain
Acta Crystallogr.,Sect.D, 66, 2010
7XF1
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BU of 7xf1 by Molmil
Crystal strucutre of apoCasDinG in complex with ssDNA
分子名称: CasDinG, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')
著者Zhang, J.T, Cui, N, Liu, Y.R, Huang, H.D, Jia, N.
登録日2022-03-31
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
3DYM
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BU of 3dym by Molmil
E. coli (lacZ) beta-galactosidase (H418E)
分子名称: Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Juers, D.H, Huber, R.E, Matthews, B.W.
登録日2008-07-28
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Direct and indirect roles of His-418 in metal binding and in the activity of beta-galactosidase (E. coli).
Protein Sci., 18, 2009
6CJG
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BU of 6cjg by Molmil
Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46
分子名称: 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
6GOI
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BU of 6goi by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated triphenylphosphonium cation
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Merlino, A, Ferraro, G.
登録日2018-06-01
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
5Y0V
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BU of 5y0v by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine
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, BERBERINE, ...
著者Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q.
登録日2017-07-18
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
5Y5F
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BU of 5y5f by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
著者Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
登録日2017-08-09
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
7XG3
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BU of 7xg3 by Molmil
CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex
分子名称: Csf1, Csf2, Csf3, ...
著者Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
登録日2022-04-02
公開日2023-08-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
2GZ1
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BU of 2gz1 by Molmil
Structure of Aspartate Semialdehyde Dehydrogenase (ASADH) from Streptococcus pneumoniae complexed with NADP
分子名称: Aspartate beta-semialdehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
登録日2006-05-10
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
2WUZ
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BU of 2wuz by Molmil
X-ray structure of CYP51 from Trypanosoma cruzi in complex with fluconazole in alternative conformation
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PUTATIVE, ...
著者Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M.
登録日2009-10-11
公開日2009-10-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
7XG4
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BU of 7xg4 by Molmil
CryoEM structure of type IV-A CasDinG bound NTS-nicked Csf-crRNA-dsDNA quaternary complex in a second state
分子名称: Csf1, Csf2, Csf3, ...
著者Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
登録日2022-04-02
公開日2023-08-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
6H8K
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BU of 6h8k by Molmil
Crystal structure of a variant (Q133C in PSST) of Yarrowia lipolytica complex I
分子名称: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH dehydrogenase [ubiquinone] flavoprotein 1, ...
著者Wirth, C, Galemou Yoga, E, Zickermann, V, Hunte, C.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Locking loop movement in the ubiquinone pocket of complex I disengages the proton pumps.
Nat Commun, 9, 2018
5Y6Q
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BU of 5y6q by Molmil
Crystal structure of an aldehyde oxidase from Methylobacillus sp. KY4400
分子名称: Aldehyde oxidase large subunit, Aldehyde oxidase medium subunit, Aldehyde oxidase small subunit, ...
著者Mikami, B, Uchida, H.
登録日2017-08-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of an aldehyde oxidase from Methylobacillus sp. KY4400.
J. Biochem., 163, 2018
3L4D
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BU of 3l4d by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R.
登録日2009-12-19
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
6GFO
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BU of 6gfo by Molmil
cyanobacterial GAPDH with full-length CP12
分子名称: CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者McFarlane, C.R, Murray, J.W.
登録日2018-05-01
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019

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