6PGE
 
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6P5N
 | | Structure of a mammalian 80S ribosome in complex with a single translocated Israeli Acute Paralysis Virus IRES and eRF1 | | 分子名称: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | 著者 | Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. | | 登録日 | 2019-05-30 | | 公開日 | 2019-09-25 | | 最終更新日 | 2020-01-08 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
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6PGC
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6CZ5
 | | Crystal structure of small molecule AMP-acrylamide covalently bound to DDX3 S228C | | 分子名称: | 5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine, ATP-dependent RNA helicase DDX3X | | 著者 | Barkovich, K.J, Moore, M.K, Hu, Q, Shokat, K.M. | | 登録日 | 2018-04-08 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Chemical genetic inhibition of DEAD-box proteins using covalent complementarity.
Nucleic Acids Res., 46, 2018
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | 分子名称: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | to be published
To Be Published
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6PG7
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6PGD
 | | WDR5delta32 bound to peptidomimetic | | 分子名称: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5 | | 著者 | Dennis, M.L, Peat, T.S. | | 登録日 | 2019-06-24 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
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6PA7
 | | The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. | | 分子名称: | CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... | | 著者 | Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. | | 登録日 | 2019-06-11 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B.
Nature, 586, 2020
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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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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | 著者 | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | 登録日 | 2019-05-16 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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6PF4
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.854 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | 分子名称: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | 登録日 | 2018-03-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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6CJ1
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | | 分子名称: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | | 著者 | Xu, X, Blacklow, S.C. | | 登録日 | 2018-02-25 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
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4WCI
 | | Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 | | 分子名称: | CD2-associated protein, Ras and Rab interactor 3, SULFATE ION | | 著者 | Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | | 登録日 | 2014-09-04 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
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6CEN
 | | Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21 | | 分子名称: | ACE-GLY-VAL-NLE-ARG-ILE-NH2, Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Boriack-Sjodin, P.A, Swinger, K, Farrow, N.A. | | 登録日 | 2018-02-12 | | 公開日 | 2018-05-09 | | 最終更新日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Identification of a peptide inhibitor for the histone methyltransferase WHSC1.
PLoS ONE, 13, 2018
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6CNH
 | | Human PRPF4B in complex with Rebastinib | | 分子名称: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Godoi, P.H.C, Santiago, A.S, Ramos, P.Z, Fala, A.M, Salmazo, A.P.T, Counago, R.M, Righetto, G.L, Silva, P.N.B, Gileadi, O, Guimaraes, C.R.W, Massirer, K.B, Arruda, P, Elkins, J.M, Edwards, A.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-08 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the human PRPF4B in complex with Rebastinib
To be Published
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6CO1
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6CPE
 | | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | | 著者 | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | | 登録日 | 2018-03-13 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6CQH
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-15 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
To Be Published
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6CKR
 | | Crystal Structure of BRD4 with QC4956 | | 分子名称: | Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | | 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 (1.62 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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6PG6
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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6P9V
 | | Crystal Structure of hMAT Mutant K289L | | 分子名称: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | 登録日 | 2019-06-10 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
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4UZD
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | 分子名称: | AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | | 著者 | Pouzieux, S, Delarbre, L, Crenne, J.Y. | | 登録日 | 2014-09-05 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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6PF3
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase | | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2019-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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