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4XCU
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BU of 4xcu by Molmil
Crystal Structure of FGFR4 with an Irreversible Inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide, SULFATE ION
Authors:Kim, J.L, Miduturu, C, Hodous, B, Brooijmans, N, Bifulco, N, Guzi, T.
Deposit date:2014-12-18
Release date:2015-04-01
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:First Selective Small Molecule Inhibitor of FGFR4 for the Treatment of Hepatocellular Carcinomas with an Activated FGFR4 Signaling Pathway.
Cancer Discov, 5, 2015
6MUM
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BU of 6mum by Molmil
Murine PI3K delta kinsae domain - cpd 3
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone
Authors:Fischmann, T.O.
Deposit date:2018-10-23
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
6MUL
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BU of 6mul by Molmil
Murine PI3K delta kinsae domain - cpd 1
Descriptor: 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Fischmann, T.O.
Deposit date:2018-10-23
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
9BH7
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BU of 9bh7 by Molmil
Human DNA polymerase theta helicase domain dimer in the apo form
Descriptor: DNA polymerase theta
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BH6
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BU of 9bh6 by Molmil
Human DNA polymerase theta helicase domain tetramer in the apo form
Descriptor: DNA polymerase theta
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BH8
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BU of 9bh8 by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology searching conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BHA
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BU of 9bha by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
9BH9
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BU of 9bh9 by Molmil
Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology aligning conformation
Descriptor: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
Authors:Zerio, C.J, Lander, G.C.
Deposit date:2024-04-19
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Human polymerase theta helicase positions DNA microhomologies for double-strand break repair
To Be Published
3PA3
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BU of 3pa3 by Molmil
X-ray crystal structure of compound 70 bound to human CHK1 kinase domain
Descriptor: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[2,3-d]pyridazine-7-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA4
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BU of 3pa4 by Molmil
X-ray crystal structure of compound 2a bound to human CHK1 kinase domain
Descriptor: 2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PA5
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BU of 3pa5 by Molmil
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Descriptor: 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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數據於2024-09-11公開中

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