9C1R
 
 | | Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13 | | 分子名称: | GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | | 著者 | Simpson, H, Wu, W.-I, Mou, T.-C. | | 登録日 | 2024-05-29 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.
J.Med.Chem., 67, 2024
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9AUL
 | | Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2024-02-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.421 Å) | | 主引用文献 | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9C4B
 | | Second BAF53a of the human TIP60 complex | | 分子名称: | Actin-like protein 6A | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-03 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9GDM
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9C6N
 | | ARP module of the human TIP60 complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-07 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9AUJ
 | | Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332) | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2024-02-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.486 Å) | | 主引用文献 | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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8Y6V
 | | Near-atomic structure of icosahedrally averaged jumbo bacteriophage PhiKZ capsid | | 分子名称: | gp119, gp120, gp162, ... | | 著者 | Yang, Y, Shao, Q, Guo, M, Han, L, Zhao, X, Wang, A, Li, X, Wang, B, Pan, J, Chen, Z, Fokine, A, Sun, L, Fang, Q. | | 登録日 | 2024-02-03 | | 公開日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Capsid structure of bacteriophage Phi KZ provides insights into assembly and stabilization of jumbo phages.
Nat Commun, 15, 2024
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8XZU
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9FBY
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9FBX
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8ZLD
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5HQG
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5HI5
 | | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists | | 分子名称: | (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ... | | 著者 | Liu, S. | | 登録日 | 2016-01-11 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
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6CJR
 | | Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 | | 分子名称: | 1,2-ETHANEDIOL, 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein 90 homolog | | 著者 | Kirkpatrick, M.G, Pizarro, J.C. | | 登録日 | 2018-02-26 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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5HN7
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5HNA
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5HQ0
 | | Ternary complex of human proteins CDK1, Cyclin B and CKS2, bound to an inhibitor | | 分子名称: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | 著者 | Noble, M.E, Martin, M.P, Korolchuk, S, Brown, N.R, Moukhametzianov, R, Stanley, W.A. | | 登録日 | 2016-01-21 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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6CNW
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5HN8
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182 | | 分子名称: | 2-{[3-hydroxy-5-(octyloxy)benzyl]sulfanyl}benzoic acid, Farnesyl pyrophosphate synthase, putative, ... | | 著者 | Liu, Y.-L, Zhang, Y, Oldfield, E. | | 登録日 | 2016-01-18 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
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5HN9
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6CB5
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6CB9
 | | Segment AALQSS from the low complexity domain of TDP-43, residues 328-333 | | 分子名称: | AALQSS | | 著者 | Guenther, E.L, Cao, Q, Lu, J, Sawaya, M.R, Eisenberg, D.S. | | 登録日 | 2018-02-02 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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6CJJ
 | | Candida albicans Hsp90 nucleotide binding domain in complex with ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ... | | 著者 | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-26 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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6CJS
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6CKS
 | | Crystal Structure of BRD4 with QC4956 | | 分子名称: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one, Bromodomain-containing protein 4 | | 著者 | Hosfield, D.J. | | 登録日 | 2018-02-28 | | 公開日 | 2018-05-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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