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2O8M
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Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
分子名称: Protease, SODIUM ION, ZINC ION
著者Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
登録日2006-12-12
公開日2007-10-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
7OJ8
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ABCG2 E1S turnover-2 state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ...
著者Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P.
登録日2021-05-14
公開日2021-07-21
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism.
Nat Commun, 12, 2021
6HD1
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human STEAP4 bound to NADPH, FAD and heme.
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Oosterheert, W, van Bezouwen, L.S, Rodenburg, R.N.P, Forster, F, Mattevi, A, Gros, P.
登録日2018-08-17
公開日2018-10-24
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction.
Nat Commun, 9, 2018
7U92
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SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2022-03-09
公開日2023-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
2OG7
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Cystal structure of asparagine oxygenase in complex with Fe(II), 2S,3S-3-hydroxyasparagine and succinate
分子名称: BETA-HYDROXYASPARAGINE, FE (II) ION, SUCCINIC ACID, ...
著者Essen, L.-O, Strieker, M.
登録日2007-01-05
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Mechanistic and structural basis of stereospecific Cbeta-hydroxylation in calcium-dependent antibiotic, a daptomycin-type lipopeptide
Acs Chem.Biol., 2, 2007
7O01
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Dimeric Photosystem I of a temperature sensitive mutant Chlamydomonas reinhardtii
分子名称: Chlorophyll a-b binding protein, chloroplastic, PSI subunit V, ...
著者Caspy, I, Nelson, N.
登録日2021-03-25
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (17.1 Å)
主引用文献Dimeric and high-resolution structures of Chlamydomonas Photosystem I from a temperature-sensitive Photosystem II mutant
Commun Biol, 4, 2021
2OHM
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X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
6PV4
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Structure of CpGH84A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase
著者Pluvinage, B, Boraston, A.B.
登録日2019-07-19
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
2OHS
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X-ray crystal structure of beta secretase complexed with compound 6b
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ...
著者Patel, S.
登録日2007-01-10
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
7NWT
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Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I.
登録日2021-03-17
公開日2021-12-15
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch
Nat Commun, 12, 2021
6VLG
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Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP
分子名称: Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ...
著者Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D.
登録日2020-01-23
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
2OJG
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Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
6PYB
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BU of 6pyb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with DVT
分子名称: 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol), CALCIUM ION, Sex hormone-binding globulin
著者Round, P.W, Das, S, Van Petegem, F.
登録日2019-07-29
公開日2019-12-25
最終更新日2020-02-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular interactions between sex hormone-binding globulin and nonsteroidal ligands that enhance androgen activity.
J.Biol.Chem., 295, 2020
2NVQ
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BU of 2nvq by Molmil
RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP
分子名称: 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ...
著者Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D.
登録日2006-11-13
公開日2006-12-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis
Cell(Cambridge,Mass.), 127, 2006
2NWL
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BU of 2nwl by Molmil
Crystal structure of GltPh in complex with L-Asp
分子名称: ASPARTIC ACID, PALMITIC ACID, glutamate symport protein
著者Gouaux, E, Boudker, O, Ryan, R, Yernool, D, Shimamoto, K.
登録日2006-11-15
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
Nature, 445, 2007
6VXR
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Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, Maternal embryonic leucine zipper kinase
著者Counago, R.M, Takarada, J.E, dos Reis, C.V, Gama, F.H, Azevedo, H, Mascarello, A, Guimaraes, C.R, Structural Genomics Consortium (SGC)
登録日2020-02-24
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Maternal embryonic leucine zipper kinase bound to LDSM276
To Be Published
7U39
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Structure of the apo form of Streptomyces venezuelae GlgX, the glycogen debranching enzyme
分子名称: Glycogen debranching enzyme GlgX
著者Schumacher, M.A.
登録日2022-02-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP.
Nat Commun, 13, 2022
7U2H
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
2PF0
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F258I mutant of EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS at 1.9 A
分子名称: Hypothetical protein XOG1
著者Cutfield, S.M, Cutfield, J.F, Patrick, W.M.
登録日2007-04-03
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance.
Febs J., 277, 2010
6Z0K
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BU of 6z0k by Molmil
Crystal structure of laccase from Pediococcus acidilactici Pp5930 (Hepes pH 7.5)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco
著者Casino, P, Huesa, J, Pardo, I.
登録日2020-05-09
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6Z0J
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Crystal structure of laccase from Pediococcus acidilactici Pa5930 (Tris-HCl pH 8.5)
分子名称: COPPER (II) ION, Putative multicopper oxidase mco
著者Casino, P, Huesa, J, Pardo, I.
登録日2020-05-09
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
6Q0Y
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Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
分子名称: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
登録日2019-08-02
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
To Be Published
2P8R
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Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8 carrying R2303K mutant
分子名称: Pre-mRNA-splicing factor Prp8
著者Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
登録日2007-03-22
公開日2007-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
6UNX
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Structure of E. coli FtsZ(L178E)-GTP complex
分子名称: Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE
著者Schumacher, M.A.
登録日2019-10-13
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution crystal structures of Escherichia coli FtsZ bound to GDP and GTP.
Acta Crystallogr.,Sect.F, 76, 2020
6UO1
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA (containing pseudouridine at the first position of the codon) and deacylated A-, P-, and E-site tRNAs at 2.95A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Batool, Z, Dobosz-Bartoszek, M, Polikanov, Y.S.
登録日2019-10-14
公開日2019-11-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Pseudouridinylation of mRNA coding sequences alters translation.
Proc.Natl.Acad.Sci.USA, 116, 2019

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