8B4K
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6NAO
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![BU of 6nao by Molmil](/molmil-images/mine/6nao) | Discovery of a high affinity inhibitor of cGAS | 分子名称: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | 著者 | Hall, J. | 登録日 | 2018-12-06 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | 主引用文献 | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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5LXM
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8FRL
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![BU of 8frl by Molmil](/molmil-images/mine/8frl) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, DODECYL-BETA-D-MALTOSIDE, ... | 著者 | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | 登録日 | 2023-01-07 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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8FRO
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![BU of 8fro by Molmil](/molmil-images/mine/8fro) | Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ... | 著者 | Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D. | 登録日 | 2023-01-07 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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6QX8
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![BU of 6qx8 by Molmil](/molmil-images/mine/6qx8) | Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter | 分子名称: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ... | 著者 | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | 登録日 | 2019-03-07 | 公開日 | 2019-09-04 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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7RIZ
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![BU of 7riz by Molmil](/molmil-images/mine/7riz) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound 2-hydroxyquinoline | 分子名称: | Beta-propeller lactonase, CALCIUM ION, QUINOLIN-2(1H)-ONE, ... | 著者 | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | 登録日 | 2021-07-20 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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6QU1
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![BU of 6qu1 by Molmil](/molmil-images/mine/6qu1) | Crystal structure of the KAP1 RBCC domain in complex with the SMARCAD1 CUE1 domain at 3.7 angstrom resolution. | 分子名称: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A containing DEAD/H box 1, Transcription intermediary factor 1-beta,Transcription intermediary factor 1-beta, ZINC ION | 著者 | Newman, J.A, Aitkenhead, H, Gavard, A, Lim, M, Williams, H.L, Svejstrup, J.Q, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-02-26 | 公開日 | 2019-07-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | A Ubiquitin-Binding Domain that Binds a Structural Fold Distinct from that of Ubiquitin. Structure, 2019
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7RIS
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![BU of 7ris by Molmil](/molmil-images/mine/7ris) | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound phosphate | 分子名称: | Beta-propeller lactonase, CALCIUM ION, PHOSPHATE ION, ... | 著者 | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | 登録日 | 2021-07-20 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone. J.Biol.Chem., 299, 2022
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6OQI
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![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | 著者 | Murray, J.M. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6QX3
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![BU of 6qx3 by Molmil](/molmil-images/mine/6qx3) | Influenza A virus (A/NT/60/1968) polymerase Hetermotrimer in complex with 3'5' cRNA promoter and Nb8205 | 分子名称: | Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ... | 著者 | Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M. | 登録日 | 2019-03-07 | 公開日 | 2019-09-04 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.79 Å) | 主引用文献 | Structures of influenza A virus RNA polymerase offer insight into viral genome replication. Nature, 573, 2019
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6RB6
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![BU of 6rb6 by Molmil](/molmil-images/mine/6rb6) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | 分子名称: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-09 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6RCW
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![BU of 6rcw by Molmil](/molmil-images/mine/6rcw) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053 | 分子名称: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2019-04-11 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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6XKA
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6S47
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![BU of 6s47 by Molmil](/molmil-images/mine/6s47) | Saccharomyces cerevisiae 80S ribosome bound with ABCF protein New1 | 分子名称: | 18S rRNA (1707-MER), 28S ribosomal RNA, 40S ribosomal protein S0-A, ... | 著者 | Kasari, V, Pochopien, A.A, Margus, T, Murina, V, Turnbull, K, Zhou, Y, Nissan, T, Graf, M, Novacek, J, Atkinson, G.C, Johansson, M.J.O, Wilson, D.N, Hauryliuk, V. | 登録日 | 2019-06-26 | 公開日 | 2019-07-24 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | A role for the Saccharomyces cerevisiae ABCF protein New1 in translation termination/recycling. Nucleic Acids Res., 47, 2019
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7ZUN
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![BU of 7zun by Molmil](/molmil-images/mine/7zun) | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound | 分子名称: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1 | 著者 | Casale, E. | 登録日 | 2022-05-12 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids. Chirality, 34, 2022
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8V11
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6URM
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![BU of 6urm by Molmil](/molmil-images/mine/6urm) | Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009 | 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, GLYCEROL, ... | 著者 | Zhou, T, Cheung, S.F, Kwong, P.D. | 登録日 | 2019-10-23 | 公開日 | 2020-09-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation. Cell Rep, 32, 2020
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8D8M
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6OQL
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![BU of 6oql by Molmil](/molmil-images/mine/6oql) | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | 著者 | Murray, J.M. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.707 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6MVW
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7TA8
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![BU of 7ta8 by Molmil](/molmil-images/mine/7ta8) | NMR structure of crosslinked cyclophilin A | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | 著者 | Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M. | 登録日 | 2021-12-20 | 公開日 | 2022-06-01 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink. J.Am.Chem.Soc., 144, 2022
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6MHJ
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![BU of 6mhj by Molmil](/molmil-images/mine/6mhj) | Structure of BoNT mutant | 分子名称: | Botulinum neurotoxin type A, PHOSPHATE ION | 著者 | Lam, K, Jin, R. | 登録日 | 2018-09-18 | 公開日 | 2018-12-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.019 Å) | 主引用文献 | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1. Nat Commun, 9, 2018
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6MUJ
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![BU of 6muj by Molmil](/molmil-images/mine/6muj) | Formylglycine generating enzyme bound to copper | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ... | 著者 | Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A. | 登録日 | 2018-10-23 | 公開日 | 2019-02-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | 主引用文献 | Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5MQ0
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![BU of 5mq0 by Molmil](/molmil-images/mine/5mq0) | Structure of a spliceosome remodeled for exon ligation | 分子名称: | 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ... | 著者 | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | 登録日 | 2016-12-19 | 公開日 | 2017-01-18 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | 主引用文献 | Structure of a spliceosome remodelled for exon ligation. Nature, 542, 2017
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