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2LK3
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BU of 2lk3 by Molmil
U2/U6 Helix I
Descriptor: 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')
Authors:Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E.
Deposit date:2011-10-03
Release date:2012-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
2LKR
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BU of 2lkr by Molmil
Yeast U2/U6 complex
Descriptor: RNA (111-MER)
Authors:Burke, J.E, Sashital, D.G, Zuo, X, Wang, Y, Butcher, S.E.
Deposit date:2011-10-19
Release date:2012-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
4D0L
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BU of 4d0l by Molmil
Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ...
Authors:Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L.
Deposit date:2014-04-29
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
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
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ...
Authors:Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughlin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L.
Deposit date:2014-04-29
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
8AJ8
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BU of 8aj8 by Molmil
Structure of p110 gamma bound to the p84 regulatory subunit
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 6
Authors:Burke, J.E, Williams, R.L, Zhang, X.
Deposit date:2022-07-27
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (8.5 Å)
Cite:Molecular basis for differential activation of p101 and p84 complexes of PI3K gamma by Ras and GPCRs.
Cell Rep, 42, 2023
8DP0
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Structure of p110 gamma bound to the Ras inhibitory nanobody NB7
Descriptor: Nanobody NB7, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Nam, S.E, Rathinaswamy, M.K, Yip, C.K.
Deposit date:2022-07-14
Release date:2023-07-19
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Allosteric activation or inhibition of PI3K gamma mediated through conformational changes in the p110 gamma helical domain.
Elife, 12, 2023
7R9V
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BU of 7r9v by Molmil
Structure of PIK3CA with covalent inhibitor 19
Descriptor: 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
Authors:Burke, J.E, McPhail, J.A.
Deposit date:2021-06-29
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
Descriptor: 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
Authors:Burke, J.E, McPhail, J.A.
Deposit date:2021-06-29
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
6OAC
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BU of 6oac by Molmil
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
Descriptor: 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
Authors:Burke, J.E, McPhail, J.A.
Deposit date:2019-03-15
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:(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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BU of 7jx0 by Molmil
NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: 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
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite: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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BU of 7jwe by Molmil
Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: Gedatolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-25
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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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BU of 7jwz by Molmil
IPI-549 bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: 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
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-26
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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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BU of 7mez by Molmil
Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5
Authors:Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K.
Deposit date:2021-04-08
Release date:2021-07-14
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation.
Sci Adv, 7, 2021
5JHB
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BU of 5jhb by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
Descriptor: 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
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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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BU of 5jha by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
Descriptor: 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
Authors:Burke, J.E, Inglis, A.J, Williams, R.L.
Deposit date:2016-04-20
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
6DJL
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BU of 6djl by Molmil
Crystal structure of the Rab11 GEF SH3BP5 bound to nucleotide free Rab11A
Descriptor: Ras-related protein Rab-11A, SH3 domain-binding protein 5
Authors:Burke, J.E, Jenkins, M.L, Boulanger, M.J.
Deposit date:2018-05-25
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.10001159 Å)
Cite:Structural determinants of Rab11 activation by the guanine nucleotide exchange factor SH3BP5.
Nat Commun, 9, 2018
5C46
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BU of 5c46 by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta in complex with GTP gamma S loaded Rab11
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Phosphatidylinositol 4-kinase beta, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-06-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5C4G
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BU of 5c4g by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-06-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
2N7M
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BU of 2n7m by Molmil
NMR-SAXS/WAXS Structure of the core of the U4/U6 di-snRNA
Descriptor: RNA (92-MER)
Authors:Cornilescu, G, Didychuk, A.L, Rodgers, M.L, Michael, L.A, Burke, J.E, Montemayor, E.J, Hoskins, A.A, Butcher, S.E, Tonelli, M.
Deposit date:2015-09-14
Release date:2015-12-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Analysis of Multi-Helical RNAs by NMR-SAXS/WAXS: Application to the U4/U6 di-snRNA.
J.Mol.Biol., 428, 2016
2N8V
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BU of 2n8v by Molmil
An NMR/SAXS structure of the PKI domain of the honeybee dicistrovirus, Israeli acute paralysis virus (IAPV) IRES
Descriptor: RNA (70-MER)
Authors:Au, H.H, Cornilescu, G, Mouzakis, K.D, Burke, J.E, Ren, Q, Lee, S, Butcher, S.E, Jan, E.
Deposit date:2015-10-27
Release date:2015-11-11
Last modified:2016-01-20
Method:SOLUTION NMR
Cite:Global shape mimicry of tRNA within a viral internal ribosome entry site mediates translational reading frame selection.
Proc.Natl.Acad.Sci.USA, 112, 2015
6ARK
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BU of 6ark by Molmil
Crystal Structure of compound 10 covalently bound to K-Ras G12C
Descriptor: (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ...
Authors:Nnadi, C.I, Jenkins, M.L, Gentile, D.R, Bateman, L.A, Zaidman, D, Balius, T.E, Nomura, D.K, Burke, J.E, Shokat, K.M, London, N.
Deposit date:2017-08-22
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange.
J Chem Inf Model, 58, 2018
5LRV
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BU of 5lrv by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to Lys11-linked diubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, PHOSPHATE ION, ...
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LRW
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BU of 5lrw by Molmil
Structure of Cezanne/OTUD7B OTU domain bound to ubiquitin
Descriptor: GLYCEROL, OTU domain-containing protein 7B, Polyubiquitin-B
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
5LRX
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BU of 5lrx by Molmil
Structure of A20 OTU domain bound to ubiquitin
Descriptor: Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016

 

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