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5FH6
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BU of 5fh6 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
分子名称: (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
著者Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
登録日2015-12-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FH8
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BU of 5fh8 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
分子名称: 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ...
著者Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
登録日2015-12-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FH7
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BU of 5fh7 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
分子名称: 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
著者Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
登録日2015-12-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
7OPQ
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BU of 7opq by Molmil
Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188
分子名称: 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ...
著者Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
登録日2021-06-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
7OPR
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BU of 7opr by Molmil
Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
登録日2021-06-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
7OPP
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BU of 7opp by Molmil
Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A
著者Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E.
登録日2021-06-01
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of the first structurally validated covalent ligands of the small GTPase RAB27A.
Rsc Med Chem, 13, 2022
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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BU of 6qdg by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
分子名称: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDC
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BU of 6qdc by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101
分子名称: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDD
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BU of 6qdd by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
分子名称: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDF
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BU of 6qdf by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096
分子名称: 3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QD9
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BU of 6qd9 by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065
分子名称: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDH
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BU of 6qdh by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906
分子名称: 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDE
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BU of 6qde by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000877
分子名称: 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020

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件を2024-07-17に公開中

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