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8AFU
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BU of 8afu by Molmil
DaArgC - N-acetyl-gamma-glutamyl-phosphate Reductase of Denitrovibrio acetiphilus
分子名称: N-acetyl-gamma-glutamyl-phosphate reductase, SODIUM ION
著者Pfister, P, Nattermann, M, Zarzycki, J, Erb, T.J.
登録日2022-07-18
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering a two-enzyme cascade for in vivo formate assimilation.
To Be Published
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4KTC
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BU of 4ktc by Molmil
NS3/NS4A protease with inhibitor
分子名称: (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ...
著者Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J.
登録日2013-05-20
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6DYA
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BU of 6dya by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7ROZ
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BU of 7roz by Molmil
Structure of RNA-dependent RNA polymerase 2 (RDR2) from Arabidopsis thaliana
分子名称: MAGNESIUM ION, RNA-dependent RNA polymerase 2
著者Fukudome, A, Pikaard, C.S, Takagi, Y.
登録日2021-08-02
公開日2021-12-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure and RNA template requirements of Arabidopsis RNA-DEPENDENT RNA POLYMERASE 2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RQS
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BU of 7rqs by Molmil
Arabidopsis RNA-dependent RNA polymerase 2
分子名称: MAGNESIUM ION, RNA-dependent RNA polymerase 2
著者Fukudome, A, Pikaard, C.S, Takagi, Y.
登録日2021-08-07
公開日2021-12-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Structure and RNA template requirements of Arabidopsis RNA-DEPENDENT RNA POLYMERASE 2.
Proc.Natl.Acad.Sci.USA, 118, 2021
4BL0
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BU of 4bl0 by Molmil
Crystal structure of yeast Bub3-Bub1 bound to phospho-Spc105
分子名称: CELL CYCLE ARREST PROTEIN BUB3, CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1, MAGNESIUM ION, ...
著者Primorac, I, Weir, J.R, Musacchio, A.
登録日2013-04-30
公開日2013-09-18
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Bub3 Reads Phosphorylated Melt Repeats to Promote Spindle Assembly Checkpoint Signaling
Elife, 2, 2013
5NJH
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BU of 5njh by Molmil
Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin
分子名称: 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O.
登録日2017-03-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin.
Cell Chem Biol, 24, 2017
5NCJ
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BU of 5ncj by Molmil
GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine
分子名称: (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ...
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
5NCI
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BU of 5nci by Molmil
GriE in complex with cobalt, alpha-ketoglutarate and l-leucine
分子名称: 2-OXOGLUTARIC ACID, COBALT (II) ION, LEUCINE, ...
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
5NCH
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BU of 5nch by Molmil
GriE apo form
分子名称: Leucine hydroxylase
著者Lukat, P, Blankenfeldt, W, Mueller, R.
登録日2017-03-05
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity.
Chem Sci, 8, 2017
3ULI
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BU of 3uli by Molmil
Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative
分子名称: 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2
著者Larsen, N.A, Tucker, J.A, Wang, T.
登録日2011-11-10
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
3S7B
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BU of 3s7b by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7J
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BU of 3s7j by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
2BZ2
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BU of 2bz2 by Molmil
Solution structure of NELF E RRM
分子名称: NEGATIVE ELONGATION FACTOR E
著者Schweimer, K, Rao, J.N, Neumann, L, Rosch, P, Wohrl, B.M.
登録日2005-08-10
公開日2006-08-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural studies on the RNA-recognition motif of NELF E, a cellular negative transcription elongation factor involved in the regulation of HIV transcription.
Biochem. J., 400, 2006
3S7D
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BU of 3s7d by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, Monomethylated p53 peptide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2011-09-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
3S7F
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BU of 3s7f by Molmil
Structural Basis of Substrate Methylation and Inhibition of SMYD2
分子名称: (R,R)-2,3-BUTANEDIOL, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Ferguson, A.D.
登録日2011-05-26
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
7XR3
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BU of 7xr3 by Molmil
3.4 Angstrom cryoEM D5 reconstruction of mud crab reovirus
分子名称: VP1, VP3
著者Zhang, Q.F, Gao, Y.Z.
登録日2022-05-09
公開日2023-04-19
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
7XR2
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BU of 7xr2 by Molmil
3.1 Angstrom cryoEM icosahedral reconstruction of mud crab reovirus
分子名称: VP11, VP12, VP3
著者Zhang, Q, Gao, Y.
登録日2022-05-09
公開日2023-04-19
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
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