1E90
 
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-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: | 2000-10-03 | | Release date: | 2000-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
|
|
1E8Y
 | | Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine | | Descriptor: | 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: | 2000-10-03 | | 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
|
|
1E8X
 | | 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
|
|
9L4B
 | | Kinase domain of ATR bound with RP-3500 | | Descriptor: | RP-3500, Serine/threonine-protein kinase ATR | | Authors: | Wang, G. | | Deposit date: | 2024-12-20 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
9L46
 | | ATR-ATRIP-bound with AMP-PNP | | Descriptor: | ATR-interacting protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase ATR | | Authors: | Wang, G. | | Deposit date: | 2024-12-20 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (6.29 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
6Z2W
 | | Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP | | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Yates, L.A, Zhang, X. | | Deposit date: | 2020-05-18 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
|
|
8OXP
 | | 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
|
|
6Z3R
 | | Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Langer, L.M, Gat, Y, Conti, E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity.
Elife, 9, 2020
|
|
9L4C
 | | ATR Spiral -ATRIP bound with RP-3500 | | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR, ZINC ION | | Authors: | Wang, G. | | Deposit date: | 2024-12-20 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
8OXQ
 | | 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
 | | 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
|
|
9L40
 | | kinase of ATR bound VE-822 state | | Descriptor: | Serine/threonine-protein kinase ATR, VE-822 | | Authors: | Wang, G. | | Deposit date: | 2024-12-19 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
8OXO
 | | 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
|
|
6ZAD
 | | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
|
|
9L43
 | | ATR Spiral -ATRIP bound with VE-822 | | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR, ZINC ION | | Authors: | Wang, G. | | Deposit date: | 2024-12-19 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
9L4F
 | | ATR-ATRIP bound with ATPgammaS | | Descriptor: | ATR-interacting protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase ATR | | Authors: | Wang, G. | | Deposit date: | 2024-12-20 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (6.22 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
9L4D
 | | ATR-ATRIP bound with RP-3500 | | Descriptor: | ATR-interacting protein, RP-3500, Serine/threonine-protein kinase ATR, ... | | Authors: | Wang, G. | | Deposit date: | 2024-12-20 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
6Z2X
 | | Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP (State II) | | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Yates, L.A, Zhang, X. | | Deposit date: | 2020-05-18 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase.
Nat.Struct.Mol.Biol., 28, 2021
|
|
9L45
 | | ATR-ATRIP bound with VE-822 | | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR, VE-822, ... | | Authors: | Wang, G. | | Deposit date: | 2024-12-19 | | Release date: | 2025-05-21 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Molecular architecture and inhibition mechanism of human ATR-ATRIP.
Sci Bull (Beijing), 70, 2025
|
|
6ZH8
 | | Cryo-EM structure of DNA-PKcs:DNA | | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs | | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | | Deposit date: | 2020-06-21 | | Release date: | 2020-10-21 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
|
|
6PYR
 | | Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | | Descriptor: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6Q74
 | | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | | Deposit date: | 2018-12-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
|
|
6Q6Y
 | | PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | | Deposit date: | 2018-12-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
|
|
6PYS
 | | Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | | Descriptor: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6OAC
 | | 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
|
|
