7YYJ
 
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6HUE
 | | ParkinS65N | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | 著者 | McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K. | | 登録日 | 2018-10-07 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
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8RV7
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-oxidanylprop-1-ynyl)benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors.
Chemmedchem, 2024
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6ZYN
 | | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b | | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2020-08-02 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4000138 Å) | | 主引用文献 | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
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7YZ8
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8RV6
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors.
Chemmedchem, 2024
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7AAY
 | | Crystal structure of MerTK kinase domain in complex with Merestinib | | 分子名称: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | 登録日 | 2020-09-05 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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8RVA
 | | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 7 | | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]benzoic acid, ... | | 著者 | Kalnins, G. | | 登録日 | 2024-01-31 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors.
Chemmedchem, 2024
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7PZ1
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | | 著者 | Scaletti, E.R, Helleday, T, Stenmark, P. | | 登録日 | 2021-10-11 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
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6B7B
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole | | 分子名称: | 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ... | | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | | 登録日 | 2017-10-03 | | 公開日 | 2017-12-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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6HOX
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6HV6
 | | Crystal structure of PatoxP, a cysteine protease-like domain of Photorhabdus asymbiotica toxin PaTox | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Toxin PAU_02230 | | 著者 | Bogdanovic, X, Wirth, C, Hunte, C. | | 登録日 | 2018-10-10 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | A cysteine protease-like domain enhances the cytotoxic effects of thePhotorhabdus asymbioticatoxin PaTox.
J. Biol. Chem., 294, 2019
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6B7T
 | | Truncated strand 10-less green fluorescent protein | | 分子名称: | Green fluorescent protein,Green fluorescent protein | | 著者 | Deng, A, Boxer, S.G. | | 登録日 | 2017-10-05 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structural Insight into the Photochemistry of Split Green Fluorescent Proteins: A Unique Role for a His-Tag.
J. Am. Chem. Soc., 140, 2018
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7Q10
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7Z1G
 | | Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945 | | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ... | | 著者 | Grygier, P, Pustelny, K, Dubin, G, Czarna, A. | | 登録日 | 2022-02-24 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
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6ZSQ
 | | Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking | | 分子名称: | AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ... | | 著者 | Balasco, N, Ferraro, G, Merlino, A. | | 登録日 | 2020-07-16 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
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6ZSR
 | | Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking | | 分子名称: | AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ... | | 著者 | Balasco, N, Ferraro, G, Merlino, A. | | 登録日 | 2020-07-16 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.005 Å) | | 主引用文献 | Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
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7YYE
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6HPG
 | | Arabidopsis OM64 TPR domain | | 分子名称: | Heat shock protein 90-4, Outer envelope protein 64, mitochondrial | | 著者 | Schwenkert, S. | | 登録日 | 2018-09-20 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Phosphorylation of the outer membrane mitochondrial protein OM64 influences protein import into mitochondria.
Mitochondrion, 44, 2019
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6BBW
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6HPS
 | | Near-infrared dual bioluminescence imaging in vivo using infra-luciferin | | 分子名称: | Luciferin 4-monooxygenase, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate | | 著者 | Parkinson, G.N, Stowe, C, Anderson, J.C. | | 登録日 | 2018-09-21 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Near-infrared dual bioluminescence imaging in mouse models of cancer using infraluciferin.
Elife, 8, 2019
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7PI6
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6HQ5
 | | Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, ... | | 著者 | Lovering, A.L, Cadby, I.T. | | 登録日 | 2018-09-24 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
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6B87
 | | Crystal structure of transmembrane protein TMHC2_E | | 分子名称: | TMHC2_E | | 著者 | Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D. | | 登録日 | 2017-10-05 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.947 Å) | | 主引用文献 | Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
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6B8G
 | | Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid | | 分子名称: | CALCIUM ION, FE (III) ION, Ferritin heavy chain | | 著者 | Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A. | | 登録日 | 2017-10-07 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
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