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2NCK
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BU of 2nck by Molmil
CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Williams, R.L, Oren, D.A, Arnold, E.
Deposit date:1993-11-15
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
1RBB
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BU of 1rbb by Molmil
THE CRYSTAL STRUCTURE OF RIBONUCLEASE B AT 2.5-ANGSTROMS RESOLUTION
Descriptor: RIBONUCLEASE B
Authors:Williams, R.L, Greene, S.M, McPherson, A.
Deposit date:1987-09-14
Release date:1988-07-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of ribonuclease B at 2.5-A resolution.
J.Biol.Chem., 262, 1987
1NLK
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BU of 1nlk by Molmil
CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Williams, R.L.
Deposit date:1994-03-01
Release date:1994-05-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
5OQ4
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BU of 5oq4 by Molmil
PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology
Descriptor: 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Williams, R.L, Zhang, X.
Deposit date:2017-08-10
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.
J. Med. Chem., 60, 2017
1LMK
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BU of 1lmk by Molmil
THE STRUCTURE OF A BIVALENT DIABODY
Descriptor: ANTI-PHOSPHATIDYLINOSITOL SPECIFIC PHOSPHOLIPASE C DIABODY
Authors:Williams, R.L.
Deposit date:1994-08-29
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a diabody, a bivalent antibody fragment.
Structure, 2, 1994
1NSK
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BU of 1nsk by Molmil
THE CRYSTAL STRUCTURE OF A HUMAN NUCLEOSIDE DIPHOSPHATE KINASE, NM23-H2
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Williams, R.L, Perisic, O.
Deposit date:1995-07-04
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of a human nucleoside diphosphate kinase, NM23-H2.
J.Mol.Biol., 251, 1995
1NQB
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BU of 1nqb by Molmil
TRIVALENT ANTIBODY FRAGMENT
Descriptor: SINGLE-CHAIN ANTIBODY FRAGMENT
Authors:Williams, R.L, Pei, X.Y.
Deposit date:1997-04-04
Release date:1997-08-20
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0-A resolution crystal structure of a trimeric antibody fragment with noncognate VH-VL domain pairs shows a rearrangement of VH CDR3.
Proc.Natl.Acad.Sci.USA, 94, 1997
2WXF
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BU of 2wxf by Molmil
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with PIK-39.
Descriptor: 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
Authors:Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L.
Deposit date:2009-11-09
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
2WXO
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BU of 2wxo by Molmil
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS5.
Descriptor: N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
Authors:Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L.
Deposit date:2009-11-09
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
1H6H
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BU of 1h6h by Molmil
Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate
Descriptor: 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4
Authors:Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L.
Deposit date:2001-06-15
Release date:2001-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
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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BU of 4d0m by Molmil
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
2X6F
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BU of 2x6f by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH 3-METHYLADENINE
Descriptor: 6-AMINO-3-METHYLPURINE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6J
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BU of 2x6j by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-93
Descriptor: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
7OWG
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BU of 7owg by Molmil
human DEPTOR in a complex with mutant human mTORC1 A1459P
Descriptor: DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ...
Authors:Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L.
Deposit date:2021-06-18
Release date:2021-09-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
2CHX
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BU of 2chx by Molmil
A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-90
Descriptor: N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
Deposit date:2006-03-16
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
2CHZ
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BU of 2chz by Molmil
A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93
Descriptor: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
Deposit date:2006-03-16
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
2CHW
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BU of 2chw by Molmil
A pharmacological map of the PI3-K family defines a role for p110 alpha in signaling: The structure of complex of phosphoinositide 3- kinase gamma with inhibitor PIK-39
Descriptor: 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
Deposit date:2006-03-16
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
7BL1
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BU of 7bl1 by Molmil
human complex II-BATS bound to membrane-attached Rab5a-GTP
Descriptor: Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O.
Deposit date:2021-01-17
Release date:2021-03-03
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 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
8OXP
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BU of 8oxp by Molmil
ATM(Q2971A) in complex with Mg AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXQ
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BU of 8oxq by Molmil
ATM(Q2971A) dimeric C-terminal region in complex with Mg AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXM
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BU of 8oxm by Molmil
ATM(Q2971A) activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide
Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OXO
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BU of 8oxo by Molmil
ATM(Q2971A) dimeric C-terminal region activated by oxidative stress in complex with Mg AMP-PNP and p53 peptide
Descriptor: Cellular tumor antigen p53, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Howes, A.C, Perisic, O, Williams, R.L.
Deposit date:2023-05-02
Release date:2023-09-27
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the activation of ataxia-telangiectasia mutated by oxidative stress.
Sci Adv, 9, 2023
8OW2
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BU of 8ow2 by Molmil
Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938
Descriptor: 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2023-04-26
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023

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