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PDB: 6 results

9EJS
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BU of 9ejs by Molmil
Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI52
Descriptor: 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-11-28
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025
9EJX
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BU of 9ejx by Molmil
Bruton's tyrosine kinase with mutations in the activation loop in complex with compound PTI42
Descriptor: Tyrosine-protein kinase BTK, {(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-11-29
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025
9EJJ
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BU of 9ejj by Molmil
Bruton's tyrosine kinase in complex with compound PTI55
Descriptor: 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-11-28
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025
9EJR
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BU of 9ejr by Molmil
Bruton's tyrosine kinase in complex with compound PTI52
Descriptor: 4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-11-28
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025
9ME2
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BU of 9me2 by Molmil
Bruton's tyrosine kinase with mutations in the activation loop in complex with compound A110162
Descriptor: 3-(4-phenoxyphenyl)-1-[(3S)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-12-05
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025
9ME3
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BU of 9me3 by Molmil
Bruton's tyrosine kinase with mutations in the activation loop in complex with compound P301390
Descriptor: 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H, Tonge, P.J, Bravo, E, Li, X.
Deposit date:2024-12-06
Release date:2025-08-13
Last modified:2025-08-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Modulating the Binding Kinetics of Bruton's Tyrosine Kinase Inhibitors through Transition-State Effects.
J.Am.Chem.Soc., 147, 2025

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PDB entries from 2025-09-24

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