8B9D
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![BU of 8b9d by Molmil](/molmil-images/mine/8b9d) | Human replisome bound by Pol Alpha | 分子名称: | Cell division control protein 45 homolog, Claspin, DNA Molecule, ... | 著者 | Jones, M.L, Yeeles, J.T.P. | 登録日 | 2022-10-05 | 公開日 | 2023-08-09 | 最終更新日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | How Pol alpha-primase is targeted to replisomes to prime eukaryotic DNA replication. Mol.Cell, 83, 2023
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4UZH
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![BU of 4uzh by Molmil](/molmil-images/mine/4uzh) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | 分子名称: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | 著者 | Pouzieux, S, Maignan, S, 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 (2 Å) | 主引用文献 | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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6O5F
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4WIV
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![BU of 4wiv by Molmil](/molmil-images/mine/4wiv) | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Xu, X, Blacklow, S. | 登録日 | 2014-09-26 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Biased multicomponent reactions to develop novel bromodomain inhibitors. J.Med.Chem., 57, 2014
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8BWF
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![BU of 8bwf by Molmil](/molmil-images/mine/8bwf) | PTBP1 RRM1 bound to an allosteric inhibitor | 分子名称: | AMINO GROUP, GLYCEROL, Ligand, ... | 著者 | Schmeing, S, Vetter, I, t Hart, P, Gasper, R. | 登録日 | 2022-12-06 | 公開日 | 2023-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Rationally designed stapled peptides allosterically inhibit PTBP1-RNA-binding. Chem Sci, 14, 2023
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6OI0
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![BU of 6oi0 by Molmil](/molmil-images/mine/6oi0) | Crystal structure of human WDR5 in complex with L-arginine | 分子名称: | ARGININE, GLYCEROL, SULFATE ION, ... | 著者 | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | 登録日 | 2019-04-08 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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6OJU
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![BU of 6oju by Molmil](/molmil-images/mine/6oju) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, Thymidylate synthase,Thymidylate synthase | 著者 | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | 登録日 | 2019-04-12 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.884 Å) | 主引用文献 | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase. Febs Lett., 593, 2019
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8BGF
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6OJV
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![BU of 6ojv by Molmil](/molmil-images/mine/6ojv) | Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, Thymidylate synthase,Thymidylate synthase | 著者 | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | 登録日 | 2019-04-12 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.593 Å) | 主引用文献 | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase. Febs Lett., 593, 2019
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4WHW
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![BU of 4whw by Molmil](/molmil-images/mine/4whw) | Direct photocapture of bromodomains using tropolone chemical probes | 分子名称: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | 著者 | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | 登録日 | 2014-09-23 | 公開日 | 2015-10-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | 主引用文献 | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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8BTT
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![BU of 8btt by Molmil](/molmil-images/mine/8btt) | Structure of human RTCB | 分子名称: | MANGANESE (II) ION, RNA-splicing ligase RtcB homolog | 著者 | Kopp, J, Gerber, J.L, Peschek, J. | 登録日 | 2022-11-30 | 公開日 | 2023-12-13 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease. Nat Commun, 15, 2024
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8B98
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8B96
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8BOP
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![BU of 8bop by Molmil](/molmil-images/mine/8bop) | LSD1-CoREST in complex with AW4, long soaking | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | 著者 | Caroli, J, Mattevi, A. | 登録日 | 2022-11-15 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8BOX
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8C9J
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![BU of 8c9j by Molmil](/molmil-images/mine/8c9j) | Crystal structure of human NQO1 by serial femtosecond crystallography | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | 著者 | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. | 登録日 | 2023-01-23 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip, 23, 2023
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4WVF
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![BU of 4wvf by Molmil](/molmil-images/mine/4wvf) | Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 | 分子名称: | (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Sun, Q, Chook, Y. | 登録日 | 2014-11-05 | 公開日 | 2015-07-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination. Nat.Neurosci., 18, 2015
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6OEB
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![BU of 6oeb by Molmil](/molmil-images/mine/6oeb) | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | 著者 | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-03-27 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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6O5K
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![BU of 6o5k by Molmil](/molmil-images/mine/6o5k) | Murine TRIM28 Bbox1 domain | 分子名称: | Transcription intermediary factor 1-beta, ZINC ION | 著者 | Sun, Y, Keown, J.R, Goldstone, D.C. | 登録日 | 2019-03-03 | 公開日 | 2019-06-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family. J.Mol.Biol., 431, 2019
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6OJQ
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4WPH
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8CKF
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![BU of 8ckf by Molmil](/molmil-images/mine/8ckf) | Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | 分子名称: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | 著者 | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | 登録日 | 2023-02-15 | 公開日 | 2023-08-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation. Acs Chem.Biol., 18, 2023
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4WNI
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4WPI
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6OI1
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![BU of 6oi1 by Molmil](/molmil-images/mine/6oi1) | Crystal structure of human WDR5 in complex with monomethyl L-arginine | 分子名称: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ... | 著者 | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | 登録日 | 2019-04-08 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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