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5WEF
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BU of 5wef by Molmil
Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770)
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-09
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WF3
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BU of 5wf3 by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9k (SRI-30023)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-07-11
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WFZ
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BU of 5wfz by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049)
分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-13
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WA7
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BU of 5wa7 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9b (SRI-30101)
分子名称: 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-06-25
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WE9
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BU of 5we9 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7b (SRI-29731)
分子名称: 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, ...
著者Kumar, G, White, S.W.
登録日2017-07-07
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W7U
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BU of 5w7u by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928)
分子名称: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.
登録日2017-06-20
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WEI
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BU of 5wei by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 7a (SRI-29770)
分子名称: 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-07-10
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
4EJN
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BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
分子名称: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
著者Eathiraj, S.
登録日2012-04-06
公開日2012-05-23
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
5WFM
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BU of 5wfm by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10e (SRI-30024)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-07-12
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WFW
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BU of 5wfw by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10j (SRI-30026)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-07-12
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.292 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WDW
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BU of 5wdw by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10k (SRI-30027)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-07-06
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WA6
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BU of 5wa6 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30007
分子名称: 2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kumar, G, White, S.W.
登録日2017-06-25
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WG9
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BU of 5wg9 by Molmil
Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9b (SRI-30101)
分子名称: 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-07-13
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W9G
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BU of 5w9g by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9k (SRI-30023)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, CHLORIDE ION, MANGANESE (II) ION, ...
著者Kumar, G, White, S.
登録日2017-06-23
公開日2017-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WAP
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BU of 5wap by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10i (SRI-30025)
分子名称: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-06-26
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
8GUB
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BU of 8gub by Molmil
Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719
分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2022-09-11
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
6ZRB
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BU of 6zrb by Molmil
Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ...
著者Talibov, V.O, Eriksson, D.
登録日2020-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Eur.J.Med.Chem., 2022
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
著者Su, M.-Y, Su, M.-Y.
登録日2023-08-22
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
3V79
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BU of 3v79 by Molmil
Structure of human Notch1 transcription complex including CSL, RAM, ANK, and MAML-1 on HES-1 promoter DNA sequence
分子名称: DNA 5'-D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3', DNA 5'-D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3', Mastermind-like protein 1, ...
著者Nam, Y, Sliz, P, Blacklow, S.
登録日2011-12-20
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Conformational Locking upon Cooperative Assembly of Notch Transcription Complexes.
Structure, 20, 2012
8K9I
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BU of 8k9i by Molmil
Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif
分子名称: Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
著者Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
登録日2023-08-01
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
7N40
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BU of 7n40 by Molmil
Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex
分子名称: Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog
著者Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M.
登録日2021-06-02
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes.
Nat Commun, 13, 2022
7M40
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BU of 7m40 by Molmil
Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
分子名称: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine
著者Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2021-03-19
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
5YD8
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BU of 5yd8 by Molmil
Crystal structure of human PCNA in complex with APIM of human ZRANB3
分子名称: Proliferating cell nuclear antigen, ZRANB3
著者Hashimoto, H, Tagata, R.
登録日2017-09-12
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of proliferating cell nuclear antigen (PCNA) bound to an APIM peptide reveals the universality of PCNA interaction.
Acta Crystallogr.,Sect.F, 74, 2018
4PBZ
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BU of 4pbz by Molmil
Structure of the human RbAp48-MTA1(670-695) complex
分子名称: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
著者Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
登録日2014-04-14
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
5YCO
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BU of 5yco by Molmil
Complex structure of PCNA with UHRF2
分子名称: E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ...
著者Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J.
登録日2017-09-07
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA.
Biochem. Biophys. Res. Commun., 494, 2017

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