3V8D
 
 | | Crystal structure of human CYP7A1 in complex with 7-ketocholesterol | | 分子名称: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-12-22 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
To be Published
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8TCH
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4LQ3
 | | Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS | | 分子名称: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, 5'-R(P*GP*G)-3', MAGNESIUM ION, ... | | 著者 | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | | 登録日 | 2013-07-17 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
Antiviral Res., 102, 2014
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6GB9
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7NQO
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7ODL
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-29 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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6DAD
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8TD4
 | | Structure of PYCR1 complexed with NADH and 1,3-Dithiolane-2-carboxylic acid | | 分子名称: | 1,3-dithiolane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ... | | 著者 | Tanner, J.J, Meeks, K.R. | | 登録日 | 2023-07-02 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
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3VD4
 | | E. coli (lacZ) beta-galactosidase (N460D) in complex with IPTG | | 分子名称: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | 著者 | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | | 登録日 | 2012-01-04 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
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4LYW
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3VEN
 | | Crystal structure of the O-carbamoyltransferase TobZ | | 分子名称: | FE (II) ION, GLYCEROL, L(+)-TARTARIC ACID, ... | | 著者 | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | | 登録日 | 2012-01-09 | | 公開日 | 2012-01-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
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1X4R
 | | Solution structure of WWE domain in Parp14 protein | | 分子名称: | Parp14 protein | | 著者 | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2005-05-14 | | 公開日 | 2005-11-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of WWE domain in Parp14 protein
To be Published
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7OD3
 | | SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein | | 著者 | Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I. | | 登録日 | 2021-04-28 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
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7QIF
 | | Crystal structure of SARS-CoV-2 NSP14 in complex with 7MeGpppG. | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | | 著者 | Newman, J.A, Imprachim, N, Yosaatmadja, Y, Gileadi, O. | | 登録日 | 2021-12-14 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development.
Nucleic Acids Res., 51, 2023
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7NQM
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | | 著者 | Selvam, I.R. | | 登録日 | 2021-03-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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4LTQ
 | | Bacterial sodium channel in low calcium, P42 space group | | 分子名称: | Ion transport protein | | 著者 | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | | 登録日 | 2013-07-23 | | 公開日 | 2013-10-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (5.5 Å) | | 主引用文献 | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
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4LZR
 | | Crystal Structure of BRD4(1) bound to Colchicine | | 分子名称: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | | 著者 | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | | 登録日 | 2013-08-01 | | 公開日 | 2014-01-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
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8T5A
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7ODK
 | | Plant peptide hormone receptor H1 | | 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 | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | | 登録日 | 2021-04-29 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
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6FZZ
 | | Crystal structure of BSE31 (BSPA14S_RS05060 gene product) from Lyme disease agent Borrelia (Borreliella) spielmanii | | 分子名称: | TETRAETHYLENE GLYCOL, Virulent strain associated lipoprotein | | 著者 | Brangulis, K, Akopjana, I, Kazaks, A, Tars, K. | | 登録日 | 2018-03-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Biochim Biophys Acta Gen Subj, 1864, 2019
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7QBM
 | | Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | | 分子名称: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | | 著者 | Benysek, J, Busa, M, Mares, M. | | 登録日 | 2021-11-19 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes.
J Enzyme Inhib Med Chem, 37, 2022
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7QJE
 | | Structure of recombinant human gamma-Tubulin Ring Complex 4-spoked assembly intermediate (spokes 9-12) | | 分子名称: | Gamma-tubulin complex component 4, Gamma-tubulin complex component 5, Gamma-tubulin complex component 6, ... | | 著者 | Tonon, G, Zupa, E, Pfeffer, S. | | 登録日 | 2021-12-16 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | | 主引用文献 | Modular assembly of the principal microtubule nucleator gamma-TuRC.
Nat Commun, 13, 2022
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6G1K
 | | Electron cryo-microscopy structure of the canonical TRPC4 ion channel | | 分子名称: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily c member 4a | | 著者 | Vinayagam, D, Mager, T, Apelbaum, A, Bothe, A, Merino, F, Hofnagel, O, Gatsogiannis, C, Raunser, S. | | 登録日 | 2018-03-21 | | 公開日 | 2018-05-02 | | 最終更新日 | 2018-08-01 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Electron cryo-microscopy structure of the canonical TRPC4 ion channel.
Elife, 7, 2018
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4M2Y
 | | Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA | | 分子名称: | DNA polymerase beta, SODIUM ION, down-primer, ... | | 著者 | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | 登録日 | 2013-08-05 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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3VJM
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #1 | | 分子名称: | 1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone, 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 | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | 登録日 | 2011-10-24 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fused bicyclic heteroarylpiperazine-substituted l-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group
Bioorg.Med.Chem., 20, 2012
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