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3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, Laughlin, J.D, LoGrasso, P.V.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
分子名称: Sin3 histone deacetylase corepressor complex component SDS3
著者Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
著者Zou, F, Li, S.
登録日2019-09-02
公開日2020-02-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
分子名称: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
分子名称: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
分子名称: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.713 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXC
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BU of 7mxc by Molmil
PRMT5:MEP50 complexed with adenosine
分子名称: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-19
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXG
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BU of 7mxg by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
分子名称: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-19
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
4LDJ
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BU of 4ldj by Molmil
Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
登録日2013-06-24
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
3J8H
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BU of 3j8h by Molmil
Structure of the rabbit ryanodine receptor RyR1 in complex with FKBP12 at 3.8 Angstrom resolution
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION
著者Yan, Z, Bai, X, Yan, C, Wu, J, Scheres, S.H.W, Shi, Y, Yan, N.
登録日2014-10-26
公開日2014-12-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the rabbit ryanodine receptor RyR1 at near-atomic resolution.
Nature, 517, 2015
4OBE
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BU of 4obe by Molmil
Crystal Structure of GDP-bound Human KRas
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Chen, Z, Westover, K.D.
登録日2014-01-07
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
分子名称: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
登録日2013-11-15
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
2N2H
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BU of 2n2h by Molmil
Solution structure of Sds3 in complex with Sin3A
分子名称: Paired amphipathic helix protein Sin3a, Sin3 histone deacetylase corepressor complex component SDS3
著者Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
著者Zou, F, Li, S.
登録日2019-08-27
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
7F65
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BU of 7f65 by Molmil
Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
分子名称: BENZOIC ACID, Cocaine esterase, SULFATE ION
著者Ouyang, P.F, Zhang, Y, Tong, J.
登録日2021-06-24
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Computational Design and Crystal Structure of a Highly Efficient Benzoylecgonine Hydrolase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7YE4
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BU of 7ye4 by Molmil
BAM-EspP complex structure with BamA-G431C and G781C/EspP-N1293C and A1043C mutations in nanodisc
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
登録日2022-07-05
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
7YE6
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BU of 7ye6 by Molmil
BAM-EspP complex structure with BamA-N427C/EspP-R1297C mutations in nanodisc
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
登録日2022-07-05
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
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