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2M4Q
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BU of 2m4q by Molmil
NMR structure of E. coli ribosomela decoding site with apramycin
分子名称: APRAMYCIN, RNA (27-MER)
著者Puglisi, J.D, Tsai, A, Marshall, R, Viani, E.
登録日2013-02-10
公開日2013-03-20
実験手法SOLUTION NMR
主引用文献The impact of aminoglycosides on the dynamics of translation elongation.
Cell Rep, 3, 2013
3J4J
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BU of 3j4j by Molmil
Model of full-length T. thermophilus Translation Initiation Factor 2 refined against its cryo-EM density from a 30S Initiation Complex map
分子名称: Translation initiation factor IF-2
著者Simonetti, A, Marzi, S, Billas, I.M.L, Tsai, A, Fabbretti, A, Myasnikov, A, Roblin, P, Vaiana, A.C, Hazemann, I, Eiler, D, Steitz, T.A, Puglisi, J.D, Gualerzi, C.O, Klaholz, B.P.
登録日2013-08-26
公開日2013-09-25
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (11.5 Å)
主引用文献Involvement of protein IF2 N domain in ribosomal subunit joining revealed from architecture and function of the full-length initiation factor.
Proc.Natl.Acad.Sci.USA, 110, 2013
1A40
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BU of 1a40 by Molmil
PHOSPHATE-BINDING PROTEIN WITH ALA 197 REPLACED WITH TRP
分子名称: PHOSPHATE ION, PHOSPHATE-BINDING PERIPLASMIC PROTEIN PRECURSOR
著者Ledivina, P.S, Wang, Z, Tsai, A, Koehl, E, Quiocho, F.A.
登録日1998-02-10
公開日1999-03-23
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.
Protein Sci., 7, 1998
8VEO
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BU of 8veo by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
著者Whittington, D.A.
登録日2023-12-20
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
分子名称: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
著者Dias, J.M, Byrnes, L.J, Varghese, A.H.
登録日2022-07-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
5JUR
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BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
分子名称: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2013-10-24
公開日2014-07-30
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 a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2014-02-27
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
5BUH
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BU of 5buh by Molmil
Influenza PB2 bound to a hydroxymethyl azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-06-03
公開日2016-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017
6ASV
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BU of 6asv by Molmil
E. coli PRPP Synthetase
分子名称: CHLORIDE ION, PHOSPHATE ION, Ribose-phosphate pyrophosphokinase
著者French, J.B, Zhou, W.
登録日2017-08-25
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of E. coli PRPP synthetase.
BMC Struct. Biol., 19, 2019
5F79
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BU of 5f79 by Molmil
Influenza PB2 bound to an azaindole inhibitor
分子名称: N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-12-07
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza.
ACS Med Chem Lett, 8, 2017

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