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7SUF
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BU of 7suf by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 06
分子名称: 1,2-ETHANEDIOL, 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUH
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BU of 7suh by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15
分子名称: 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUJ
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BU of 7suj by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24
分子名称: (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
7SUG
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BU of 7sug by Molmil
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09
分子名称: 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2021-11-17
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
5IUD
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BU of 5iud by Molmil
Human DNA polymerase alpha in binary complex with a DNA:DNA template-primer
分子名称: DNA polymerase alpha catalytic subunit, DNA primer, DNA template
著者Coloma, J, Aggarwal, A.K.
登録日2016-03-17
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Human DNA polymerase alpha in binary complex with a DNA:DNA template-primer.
Sci Rep, 6, 2016
6V93
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BU of 6v93 by Molmil
Structure of DNA Polymerase Zeta/DNA/dNTP Ternary Complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA, ...
著者Malik, R, Kopylov, M, Jain, R, Ubarrextena-Belandia, I, Aggarwal, A.K.
登録日2019-12-13
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020
6V8P
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BU of 6v8p by Molmil
Structure of DNA Polymerase Zeta (Apo)
分子名称: DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ...
著者Malik, R, Gomez-Llorente, Y, Ubarretxena-Belandia, I, Aggarwal, A.K.
登録日2019-12-11
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020
6P1H
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BU of 6p1h by Molmil
Cryo-EM Structure of DNA Polymerase Delta Holoenzyme
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ...
著者Jain, R, Rice, W, Aggarwal, A.K.
登録日2019-05-19
公開日2019-10-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure and dynamics of eukaryotic DNA polymerase delta holoenzyme.
Nat.Struct.Mol.Biol., 26, 2019
6Q02
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BU of 6q02 by Molmil
Polymerase Eta-catalyzed insertion of the mismatched A opposite template cytarabine (AraC) residue
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA Primer Strand, DNA polymerase eta, ...
著者Rechkoblit, O, Aggarwal, A.K.
登録日2019-08-01
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights into mutagenicity of anticancer nucleoside analog cytarabine during replication by DNA polymerase eta.
Sci Rep, 9, 2019
6PZ3
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BU of 6pz3 by Molmil
Polymerase Eta-catalyzed insertion of correct G opposite template cytarabine (AraC) residue
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA Primer strand, DNA polymerase eta, ...
著者Rechkoblit, O, Aggarwal, A.K.
登録日2019-07-31
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Structural insights into mutagenicity of anticancer nucleoside analog cytarabine during replication by DNA polymerase eta.
Sci Rep, 9, 2019
3OHB
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BU of 3ohb by Molmil
Yeast DNA polymerase eta extending from an 8-oxoG lesion
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(*TP*AP*AP*TP*GP*(8OG)P*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ...
著者Silverstein, T.D, Jain, R, Aggarwal, A.K.
登録日2010-08-17
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Structure, 18, 2010
3OHA
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BU of 3oha by Molmil
Yeast DNA polymerase eta inserting dCTP opposite an 8oxoG lesion
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(P*TP*(8OG)P*GP*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ...
著者Silverstein, T.D, Jain, R, Aggarwal, A.K.
登録日2010-08-17
公開日2010-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Structure, 18, 2010
3OSP
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BU of 3osp by Molmil
Structure of rev1
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', 5'-D(*TP*AP*AP*(3DR)P*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
著者Nair, D.T, Aggarwal, A.K.
登録日2010-09-09
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献DNA synthesis across an abasic lesion by yeast REV1 DNA polymerase.
J.Mol.Biol., 406, 2011
3G6V
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BU of 3g6v by Molmil
DNA synthesis across an abasic lesion by human DNA polymerase-iota
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA polymerase iota, MAGNESIUM ION, ...
著者Nair, D.T, Aggarwal, A.K.
登録日2009-02-09
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA Synthesis across an Abasic Lesion by Human DNA Polymerase iota
Structure, 17, 2009
3G6Y
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BU of 3g6y by Molmil
Ternary complex of DNA Polymerase iota:DNA:dTTP with an abasic site at the templating position
分子名称: DNA polymerase iota, MAGNESIUM ION, Primer DNA strand, ...
著者Nair, D.T, Aggarwal, A.K.
登録日2009-02-09
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA Synthesis across an Abasic Lesion by Human DNA Polymerase iota
Structure, 17, 2009
3G6X
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BU of 3g6x by Molmil
Ternary complex of DNA Polymerase iota:DNA:dGTP with an abasic site at the templating position
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase iota, MAGNESIUM ION, ...
著者Nair, D.T, Aggarwal, A.K.
登録日2009-02-09
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献DNA Synthesis across an Abasic Lesion by Human DNA Polymerase iota.
Structure, 17, 2009
8TLT
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BU of 8tlt by Molmil
Cryo-EM structure of Rev1(deltaN)-Polzeta-DNA-dCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*TP*AP*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*AP*AP*T)-3'), ...
著者Malik, R, Aggarwal, A.K.
登録日2023-07-27
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure of the Rev1-Pol zeta holocomplex reveals the mechanism of their cooperativity in translesion DNA synthesis.
Nat.Struct.Mol.Biol., 2024
8TLQ
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BU of 8tlq by Molmil
Cryo-EM structure of the Rev1-Polzeta-DNA-dCTP complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ...
著者Malik, R, Aggarwal, A.K.
登録日2023-07-27
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structure of the Rev1-Pol zeta holocomplex reveals the mechanism of their cooperativity in translesion DNA synthesis.
Nat.Struct.Mol.Biol., 2024
5ULX
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BU of 5ulx by Molmil
Structure of human DNA polymerase iota bound to template 1-methyl-deoxyadenosine crystallized in the presence of dCTP
分子名称: CHLORIDE ION, DNA (5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3'), DNA (5'-D(P*(MA7)P*GP*GP*GP*TP*CP*CP*T)-3'), ...
著者Jain, R, Aggarwal, A.K.
登録日2017-01-25
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Mechanism of error-free DNA synthesis across N1-methyl-deoxyadenosine by human DNA polymerase-iota.
Sci Rep, 7, 2017
5ULW
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BU of 5ulw by Molmil
Structure of human DNA polymerase iota bound to template 1-methyl-deoxyadenosine
分子名称: CHLORIDE ION, DNA (5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3'), DNA (5'-D(*TP*(MA7)P*GP*GP*GP*TP*CP*CP*T)-3'), ...
著者Jain, R, Aggarwal, A.K.
登録日2017-01-25
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.617 Å)
主引用文献Mechanism of error-free DNA synthesis across N1-methyl-deoxyadenosine by human DNA polymerase-iota.
Sci Rep, 7, 2017
3GQC
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BU of 3gqc by Molmil
Structure of human Rev1-DNA-dNTP ternary complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', 5'-D(*TP*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
著者Swan, M.K, Aggarwal, A.K.
登録日2009-03-24
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the human Rev1-DNA-dNTP ternary complex.
J.Mol.Biol., 390, 2009
3IN5
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BU of 3in5 by Molmil
Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*CP*TP*AP*(8OG)P*GP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*G*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*(DOC))-3'), ...
著者Silverstein, T.D, Vasquez-Del Carpio, R, Aggarwal, A.K.
登録日2009-08-11
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
PLOS ONE, 4, 2009
3IAY
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BU of 3iay by Molmil
Ternary complex of DNA polymerase delta
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', 5'-D(*TP*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
著者Swan, M.K, Aggarwal, A.K.
登録日2009-07-15
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of high-fidelity DNA synthesis by yeast DNA polymerase delta
Nat.Struct.Mol.Biol., 16, 2009
2OH2
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BU of 2oh2 by Molmil
Ternary Complex of Human DNA Polymerase
分子名称: 5'-D(*GP*GP*G*GP*GP*AP*AP*GP*GP*AP*CP*CP*C)-3', 5'-D(*TP*T*CP*CP*AP*GP*GP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', DNA polymerase kappa, ...
著者Lone, S, Townson, S.A, Uljon, S.N, Prakash, S, Prakash, L, Aggarwal, A.K.
登録日2007-01-09
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Ternary complex of the catalytic core of human DNA polymerase Kappa with DNA and dTT
To be Published
2P2H
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BU of 2p2h by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
分子名称: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2007-03-07
公開日2007-03-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007

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