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8OXM
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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
3LS8
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BU of 3ls8 by Molmil
Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
Descriptor: 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-02-12
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
Descriptor: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Bard, J, Svenson, K.
Deposit date:2010-04-13
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3ML9
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Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
1E7V
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BU of 1e7v by Molmil
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
Descriptor: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
Deposit date:2000-09-08
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine.
Mol.Cell, 6, 2000
4PLA
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BU of 4pla by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chimera protein of Phosphatidylinositol 4-kinase type 2-alpha and Lysozyme
Authors:Baumlova, A, Chalupska, D, Boura, E.
Deposit date:2014-05-16
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:The crystal structure of the phosphatidylinositol 4-kinase II alpha.
Embo Rep., 15, 2014
8OW2
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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
1E8X
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BU of 1e8x by Molmil
STRUCTURAL INSIGHTS INTO PHOSHOINOSITIDE 3-KINASE ENZYMATIC MECHANISM AND SIGNALLING
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, LUTETIUM (III) ION, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Perisic, O, Ried, C, Stephens, L, Williams, R.L.
Deposit date:2000-10-03
Release date:2000-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
4PS7
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BU of 4ps7 by Molmil
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Descriptor: N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4PH4
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BU of 4ph4 by Molmil
The crystal structure of Human VPS34 in complex with PIK-III
Descriptor: 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-05-04
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
4PS3
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Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
Descriptor: 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4PS8
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BU of 4ps8 by Molmil
Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Descriptor: N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Griffith, J.P.
Deposit date:2014-03-06
Release date:2014-05-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
1E7U
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BU of 1e7u by Molmil
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Perisic, O, Ried, C, Stephens, L, Williams, R.L.
Deposit date:2000-09-08
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
5G55
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BU of 5g55 by Molmil
3-Quinoline Carboxamides inhibitors of Pi3K
Descriptor: 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Edman, K, Phillips, C.
Deposit date:2016-05-20
Release date:2016-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
5NCZ
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BU of 5ncz by Molmil
mPI3Kd IN COMPLEX WITH inh1
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2017-03-06
Release date:2017-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
5G2N
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X-ray structure of PI3Kinase Gamma in complex with Copanlisib
Descriptor: 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J.
Deposit date:2016-04-11
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
5NP0
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BU of 5np0 by Molmil
Closed dimer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
5NGB
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BU of 5ngb by Molmil
X-Ray Diffraction Crystal Structure of the murine PI3K p110delta in complex with a pan inhibitor
Descriptor: 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Berndt, A, Williams, R.L.
Deposit date:2017-03-17
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a Potent Phosphoinositide 3-Kinase Pan Inhibitor Displaying a Strategic Carboxylic Acid Group and Development of Its Prodrugs.
ChemMedChem, 12, 2017
7WZW
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BU of 7wzw by Molmil
Cryo-EM structure of MEC1-DDC2-MMS
Descriptor: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
Authors:Zhang, Q, Zhang, Q.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins.
Cell Discov, 8, 2022
7WZR
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BU of 7wzr by Molmil
Cryo-EM structure of Mec1-HU
Descriptor: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
Authors:Zhang, Q, Zhang, Q.
Deposit date:2022-02-19
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins.
Cell Discov, 8, 2022
5NP1
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BU of 5np1 by Molmil
Open protomer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
5OEJ
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BU of 5oej by Molmil
Structure of Tra1 subunit within the chromatin modifying complex SAGA
Descriptor: Tra1 subunit within the chromatin modifying complex SAGA
Authors:Sharov, G, Voltz, K, Durand, A, Kolesnikova, O, Papai, G, Myasnikov, A.G, Dejaegere, A, Ben-Shem, A, Schultz, P.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structure of the transcription activator target Tra1 within the chromatin modifying complex SAGA.
Nat Commun, 8, 2017
5I0N
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PI4K IIalpha bound to calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha
Authors:Baumlova, A, Boura, E.
Deposit date:2016-02-04
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:PI4K IIalpha bound to calcium
To Be Published

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