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8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
Descriptor: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
Authors:Zhu, C.J.
Deposit date:2023-05-17
Release date:2024-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.89288354 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8JG8
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BU of 8jg8 by Molmil
The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
Descriptor: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-05-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.90002346 Å)
Cite:Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8H7B
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BU of 8h7b by Molmil
The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA
Descriptor: 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-19
Release date:2023-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.46408451 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7F
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BU of 8h7f by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA
Descriptor: 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45013428 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8H7H
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BU of 8h7h by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA
Descriptor: 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27789712 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
Descriptor: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2023-06-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.95020175 Å)
Cite:Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023

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