4MXP
 
 | | Structural Basis for PI(4)P-Specific Membrane Recruitment of the Legionella pneumophila Effector DrrA/SidM | | 分子名称: | (2R)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, Defects in Rab1 recruitment protein A, SODIUM ION | | 著者 | Del Campo, C.M, Mishra, A.K, Wang, Y.H, Roy, C.R, Janmey, P.A, Lambright, D.G. | | 登録日 | 2013-09-26 | | 公開日 | 2014-03-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural Basis for PI(4)P-Specific Membrane Recruitment of the Legionella pneumophila Effector DrrA/SidM.
Structure, 22, 2014
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6V5L
 | | The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22 | | 分子名称: | (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A. | | 登録日 | 2019-12-04 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
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3TWM
 | | Crystal structure of Arabidopsis thaliana FPG | | 分子名称: | 5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*AP*GP*AP*CP*GP*TP*GP*GP*AP*CP*GP*C)-3', Formamidopyrimidine-DNA glycosylase 1 | | 著者 | Duclos, S, Aller, P, Wallace, S.S, Doublie, S. | | 登録日 | 2011-09-22 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine.
Dna Repair, 11, 2012
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5YWR
 | | Crystal Structure of RING E3 ligase ZNRF1 in complex with Ube2N (Ubc13) | | 分子名称: | E3 ubiquitin-protein ligase ZNRF1, FORMIC ACID, TRIETHYLENE GLYCOL, ... | | 著者 | Behera, A.P, Naskar, P, Datta, A.B. | | 登録日 | 2017-11-30 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structural insights into the nanomolar affinity of RING E3 ligase ZNRF1 for Ube2N and its functional implications.
Biochem. J., 475, 2018
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6JTO
 | | Crystal structure of HLA-C05 in complex with a tumor mut10m peptide | | 分子名称: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Bai, P, Zhou, Q, Wei, P, Lei, Y. | | 登録日 | 2019-04-11 | | 公開日 | 2020-04-15 | | 最終更新日 | 2021-05-19 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation.
Sci China Life Sci, 2021
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2NXH
 | | Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase. | | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | | 著者 | Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L. | | 登録日 | 2006-11-17 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases.
Biochemistry, 46, 2007
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4BBS
 | | Structure of an initially transcribing RNA polymerase II-TFIIB complex | | 分子名称: | 5'-D(*AP*GP*CP*GP*CP*AP*GP*TP*TP*GP*TP*GP*CP*TP *AP*TP*GP*AP*TP*AP*TP*TP*TP*TP*TP*AP*TP)-3', 5'-D(*GP*GP*CP*AP*CP*AP*AP*CP*TP*GP*CP*GP*CP*TP)-3', 5'-R(*AP*UP*AP*UP*CP*AP)-3', ... | | 著者 | Sainsbury, S, Niesser, J, Cramer, P. | | 登録日 | 2012-09-27 | | 公開日 | 2012-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Structure and Function of the Initially Transcribing RNA Polymerase II-TFIIB Complex
Nature, 493, 2013
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5AMF
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | | 分子名称: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | | 著者 | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | 登録日 | 2015-03-10 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
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5AME
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION | | 著者 | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | 登録日 | 2015-03-10 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.578 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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1OG7
 | | Three-dimensional structure in lipid micelles of the pediocin-like antimicrobial peptide sakacin P. | | 分子名称: | BACTERIOCIN SAKACIN P | | 著者 | Uteng, M, Hauge, H.H, Markwick, P.R, Fimland, G, Mantzilas, D, Nissen-Meyer, J, Muhle-Goll, C. | | 登録日 | 2003-04-25 | | 公開日 | 2003-09-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-Dimensional Structure in Lipid Micelles of the Pediocin-Like Antimicrobial Peptide Sakacin P and a Sakacin P Variant that is Structurally Stabilized by an Inserted C-Terminal Disulfide Bridge
Biochemistry, 42, 2003
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1OHN
 | | Three-dimensional structure in lipid micelles of the pediocin-like antimicrobial peptide sakacin P. | | 分子名称: | BACTERIOCIN SAKACIN P | | 著者 | Uteng, M, Hauge, H.H, Markwick, P.R, Fimland, G, Mantzilas, D, Nissen-Meyer, J, Muhle-Goll, C. | | 登録日 | 2003-05-28 | | 公開日 | 2003-09-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Three-Dimensional Structure in Lipid Micelles of the Pediocin-Like Antimicrobial Peptide Sakacin P and a Sakacin P Variant that is Structurally Stabilized by an Inserted C-Terminal Disulfide Bridge
Biochemistry, 42, 2003
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5UJG
 | | ovGRN12-35_3s | | 分子名称: | Granulin | | 著者 | Bansal, P, Smout, M, Wilson, D, Caceres, C.C, Dastpeyman, M, Sotillo, J, Seifert, J, Brindley, P, Loukas, A, Daly, N. | | 登録日 | 2017-01-17 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of a Potent Wound Healing Agent Based on the Liver Fluke Granulin Structural Fold.
J. Med. Chem., 60, 2017
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5URN
 | | NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65 | | 分子名称: | RNA polymerase II transcription factor B subunit 1, Transcription factor p65 | | 著者 | Lecoq, L, Omichinski, J.G, Raiola, L, Cyr, N, Chabot, P, Arseneault, G, Legault, P. | | 登録日 | 2017-02-11 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
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1Z42
 | | Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde | | 分子名称: | FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE, Probable NADH-dependent flavin oxidoreductase yqjM, ... | | 著者 | Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. | | 登録日 | 2005-03-15 | | 公開日 | 2005-05-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
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5R82
 | | PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216 | | 分子名称: | 3C-like proteinase, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | 登録日 | 2020-03-03 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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5C7C
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | | 分子名称: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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2PI6
 | | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chitinase-3-like protein 1, ETHANOL, ... | | 著者 | Sharma, P, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | | 登録日 | 2007-04-13 | | 公開日 | 2007-05-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 65, 2009
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5CBU
 | | Human Cyclophilin D Complexed with Inhibitor. | | 分子名称: | 1,2-ETHANEDIOL, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | 登録日 | 2015-07-01 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor.
To Be Published
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7O1Q
 | | Amyloid beta oligomer displayed on the alpha hemolysin scaffold | | 分子名称: | Alpha-hemolysin hybridized Abeta | | 著者 | Wu, J, Blum, T.B, Farrell, D.P, DiMaio, F, Abrahams, J.P, Luo, J. | | 登録日 | 2021-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-electron Microscopy Imaging of Alzheimer's Amyloid-beta 42 Oligomer Displayed on a Functionally and Structurally Relevant Scaffold.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5RE6
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-03-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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5CBP
 | | Crystal Structure of Conjoint Pyrococcus furiosus L-asparaginase at 37 degree C | | 分子名称: | CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Sharma, P, Yadav, S.P, Tomar, R, Kundu, B, Ashish, F. | | 登録日 | 2015-07-01 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.358 Å) | | 主引用文献 | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
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5REM
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016 | | 分子名称: | 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-03-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2021-02-24 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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7NRI
 | | Structure of the darobactin-bound E. coli BAM complex (BamABCDE) | | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | 著者 | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | 登録日 | 2021-03-03 | | 公開日 | 2021-04-21 | | 最終更新日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
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5RF3
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, pyrimidin-5-amine | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-03-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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5RFJ
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-03-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2021-02-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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