5AD3
 
 | | Bivalent binding to BET bromodomains | | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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5AD2
 | | Bivalent binding to BET bromodomains | | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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6XVB
 | | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XVJ
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XVK
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XV9
 | | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Ogg, D.J, Howard, T, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XVA
 | | Crystal structure of the kinase domain of human c-KIT in complex with a type-II inhibitor bearing an acrylamide | | Descriptor: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-21 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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9ET4
 | | CDK2-cyclin A in complex with FragLite 9 | | Descriptor: | 4-iodanylbenzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.641 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ET3
 | | CDK2-cyclin A in complex with FragLite 10 | | Descriptor: | 6-bromo-1,3-dihydro-2H-indol-2-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ET1
 | | CDK2-cyclin A in complex with FragLite 12 | | Descriptor: | 4-iodanylbenzamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESO
 | | CDK2-cyclin A in complex with FragLite 27 | | Descriptor: | (4-bromo-1H-pyrazol-1-yl)acetic acid, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESK
 | | CDK2-cyclin A in complex with FragLite 30 | | Descriptor: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ETB
 | | CDK2-cyclin A in complex with FragLite 2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-IODOPYRAZOLE, Cyclin-A2, ... | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ET9
 | | CDK2-cyclin A in complex with FragLite 4 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ETA
 | | CDK2-cyclin A in complex with FragLite 3 | | Descriptor: | 4-bromanyl-1,2-oxazole, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESJ
 | | CDK2-cyclin A in complex with FragLite 31 | | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESS
 | | CDK2-cyclin A in complex with FragLite 22 | | Descriptor: | (4-bromo-2-methoxyphenyl)methanol, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESU
 | | CDK2-cyclin A in complex with FragLite 20 | | Descriptor: | 4-bromanyl-2-(methoxymethyl)pyridine, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ET6
 | | CDK2-cyclin A in complex with FragLite 7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.553 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ETP
 | | CDK2-cyclin A in complex with FragLite 1 | | Descriptor: | 4-bromo-1H-pyrazole, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESN
 | | CDK2-cyclin A in complex with FragLite 28 | | Descriptor: | 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESX
 | | CDK2-cyclin A in complex with FragLite 17 | | Descriptor: | 1-bromanyl-4-methylsulfonyl-benzene, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESZ
 | | CDK2-cyclin A in complex with FragLite 14 | | Descriptor: | 5-iodanylpyrimidine, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ET8
 | | CDK2-cyclin A in complex with FragLite 5 | | Descriptor: | 4-iodanylpyridin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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9ESL
 | | CDK2-cyclin A in complex with FragLite 29 | | Descriptor: | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Hope, I, Martin, M.P, Waring, M.J, Noble, M.E.M, Endicott, J.A, Tatum, N.J. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction
To Be Published
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