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PDB: 63 件
5WL8
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Crystal structure of chalcone isomerase engineered from ancestral inference (epR4)
分子名称: Engineered Chalcone Isomerase epR4, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL4
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Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3)
分子名称: Engineered Chalcone Isomerase ancR3, FORMIC ACID
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKR
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Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ...
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
8AJ8
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Structure of p110 gamma bound to the p84 regulatory subunit
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 6
著者Burke, J.E, Williams, R.L, Zhang, X.
登録日2022-07-27
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (8.5 Å)
主引用文献Molecular basis for differential activation of p101 and p84 complexes of PI3K gamma by Ras and GPCRs.
Cell Rep, 42, 2023
7R9V
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Structure of PIK3CA with covalent inhibitor 19
分子名称: N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2021-06-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
7R9Y
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Structure of PIK3CA with covalent inhibitor 22
分子名称: N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2021-06-29
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
5WL3
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Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancR2
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL6
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Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase AncR7
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WKS
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Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ...
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL5
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Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.513 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
5WL7
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Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancCHI*
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
2R3X
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Crystal structure of an R15L hGSTA1-1 mutant complexed with S-hexyl-glutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Burke, J.P.W.G, Kinsley, N, Sayed, M, Sewell, T, Dirr, H.W.
登録日2007-08-30
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Arginine 15 stabilizes an S(N)Ar reaction transition state and the binding of anionic ligands at the active site of human glutathione transferase A1-1.
Biophys.Chem., 146, 2010
8DP0
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Structure of p110 gamma bound to the Ras inhibitory nanobody NB7
分子名称: Nanobody NB7, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Burke, J.E, Nam, S.E, Rathinaswamy, M.K, Yip, C.K.
登録日2022-07-14
公開日2023-07-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Allosteric activation or inhibition of PI3K gamma mediated through conformational changes in the p110 gamma helical domain.
Elife, 12, 2023
6MS8
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Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin
分子名称: Chalcone-flavonone isomerase family protein, NARINGENIN
著者Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P.
登録日2018-10-16
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
5JHB
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BU of 5jhb by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
著者Burke, J.E, Inglis, A.J, Williams, R.L.
登録日2016-04-20
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5JHA
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Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
著者Burke, J.E, Inglis, A.J, Williams, R.L.
登録日2016-04-20
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
6OAC
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PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha
分子名称: 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Burke, J.E, McPhail, J.A.
登録日2019-03-15
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
7JX0
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NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma
分子名称: N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-26
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7JWZ
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IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
分子名称: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-26
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7JWE
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Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma
分子名称: Gedatolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
登録日2020-08-25
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
7MEZ
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Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5
著者Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K.
登録日2021-04-08
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation.
Sci Adv, 7, 2021
5EUQ
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Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
分子名称: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
著者Burke, J.E, Fowler, M.L.
登録日2015-11-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
4D0M
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Phosphatidylinositol 4-kinase III beta in a complex with Rab11a-GTP- gamma-S and the Rab-binding domain of FIP3
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ...
著者Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughlin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L.
登録日2014-04-29
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
4D0L
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Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ...
著者Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L.
登録日2014-04-29
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
2LK3
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U2/U6 Helix I
分子名称: RNA (5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-3')
著者Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E.
登録日2011-10-03
公開日2012-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012

 

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