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2FLL
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BU of 2fll by Molmil
Ternary complex of human DNA polymerase iota with DNA and dTTP
Descriptor: DNA polymerase iota, DNA primer strand, DNA template strand, ...
Authors:Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2006-01-06
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An incoming nucleotide imposes an anti to syn conformational change on the templating purine in the human DNA polymerase-iota active site.
Structure, 14, 2006
7JKL
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BU of 7jkl by Molmil
Human PrimPol misinserting dATP opposite the 8-oxoguanine lesion (3'-end base of the primer strand is 2',3'-dideoxy-terminated).
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-07-28
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.384 Å)
Cite:Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Nat Commun, 12, 2021
7JK1
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BU of 7jk1 by Molmil
Human PrimPol inserting correct dCTP opposite the 8-oxoguanine lesion
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-07-27
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Nat Commun, 12, 2021
7JLG
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BU of 7jlg by Molmil
Human PrimPol extending from the erroneous primer base A opposite the 8-oxoguanine lesion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-07-29
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Nat Commun, 12, 2021
7JKP
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BU of 7jkp by Molmil
Human PrimPol misinserting dATP opposite the 8-oxoguanine lesion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*GP*CP*G)-3'), ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-07-28
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Nat Commun, 12, 2021
7JL8
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BU of 7jl8 by Molmil
Human PrimPol extending from the correct primer base C opposite the 8-oxoguanine lesion
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-07-29
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Nat Commun, 12, 2021
7JTO
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BU of 7jto by Molmil
Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
Descriptor: 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ...
Authors:Kottur, J, Jain, R, Aggarwal, A.K.
Deposit date:2020-08-18
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7JTP
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BU of 7jtp by Molmil
Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
Descriptor: Elongin-B, Elongin-C, GLYCEROL, ...
Authors:Kottur, J, Jain, R, Aggarwal, A.K.
Deposit date:2020-08-18
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7L1X
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BU of 7l1x by Molmil
Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600.
Descriptor: (2~{Z})-6-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-2-[[4-oxidanyl-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methylidene]-4~{H}-1,4-benzothiazin-3-one, Casein kinase II subunit alpha, GLYCEROL, ...
Authors:Rechkoblit, O, Aggarwal, A.K.
Deposit date:2020-12-15
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease.
Nat Commun, 12, 2021
5L2X
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BU of 5l2x by Molmil
Crystal structure of human PrimPol ternary complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ...
Authors:Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2016-08-02
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and mechanism of human PrimPol, a DNA polymerase with primase activity.
Sci Adv, 2, 2016
5KQS
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BU of 5kqs by Molmil
Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine and 7-methyl-guanosine-5'-diphosphate
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, GLYCEROL, ...
Authors:Coloma, J, Jain, R, Rajashankar, K.R, Aggarwal, A.K.
Deposit date:2016-07-06
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of NS5 Methyltransferase from Zika Virus.
Cell Rep, 16, 2016
4PTF
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BU of 4ptf by Molmil
Ternary crystal structure of yeast DNA polymerase epsilon with template G
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', ...
Authors:Jain, R, Rajashankar, K.R, Buku, A, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2014-03-10
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Crystal Structure of Yeast DNA Polymerase epsilon Catalytic Domain.
Plos One, 9, 2014
5WM8
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BU of 5wm8 by Molmil
Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
5WMB
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BU of 5wmb by Molmil
Structure of the 10S (-)-cis-BP-dG modified Rev1 ternary complex (the BP residue is disordered)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
5WM1
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BU of 5wm1 by Molmil
Structure of the 10S (+)-trans-BP-dG modified Rev1 ternary complex
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
3G6V
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BU of 3g6v by Molmil
DNA synthesis across an abasic lesion by human DNA polymerase-iota
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA polymerase iota, MAGNESIUM ION, ...
Authors:Nair, D.T, Aggarwal, A.K.
Deposit date:2009-02-09
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: DNA polymerase iota, MAGNESIUM ION, Primer DNA strand, ...
Authors:Nair, D.T, Aggarwal, A.K.
Deposit date:2009-02-09
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase iota, MAGNESIUM ION, ...
Authors:Nair, D.T, Aggarwal, A.K.
Deposit date:2009-02-09
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:DNA Synthesis across an Abasic Lesion by Human DNA Polymerase iota.
Structure, 17, 2009
4ZCF
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BU of 4zcf by Molmil
Structural basis of asymmetric DNA methylation and ATP-triggered long-range diffusion by EcoP15I
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, DNA 20-mer AATCATAGTCTACTGCTGTA, ...
Authors:Gupta, Y.K, Chan, S.H, Xu, S.Y, Aggarwal, A.K.
Deposit date:2015-04-15
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of asymmetric DNA methylation and ATP-triggered long-range diffusion by EcoP15I.
Nat Commun, 6, 2015
2OH2
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BU of 2oh2 by Molmil
Ternary Complex of Human DNA Polymerase
Descriptor: 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, ...
Authors:Lone, S, Townson, S.A, Uljon, S.N, Prakash, S, Prakash, L, Aggarwal, A.K.
Deposit date:2007-01-09
Release date:2007-02-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Ternary complex of the catalytic core of human DNA polymerase Kappa with DNA and dTT
To be Published
2P0J
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BU of 2p0j by Molmil
Structure of restriction endonuclease BstYI bound to non-cognate DNA
Descriptor: 5'-D(*AP*TP*GP*AP*AP*TP*CP*CP*AP*TP*A)-3', 5'-D(*TP*AP*TP*GP*GP*AP*TP*TP*CP*AP*T)-3', BstYI
Authors:Townson, S.A, Samuelson, J.C, Bao, Y, Xu, S.Y, Aggarwal, A.K.
Deposit date:2007-02-28
Release date:2007-05-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:BstYI Bound to Noncognate DNA Reveals a "Hemispecific" Complex: Implications for DNA Scanning.
Structure, 15, 2007
2PI0
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BU of 2pi0 by Molmil
Crystal Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-B enhancer
Descriptor: Interferon regulatory factor 3, PRDIII-I region of human interferon-B promoter strand 1, PRDIII-I region of human interferon-B promoter strand 2
Authors:Escalante, C.R, Nistal-Villan, E, Leyi, S, Garcia-Sastre, A, Aggarwal, A.K.
Deposit date:2007-04-12
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-beta enhancer.
Mol.Cell, 26, 2007
4HTP
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BU of 4htp by Molmil
Crystal structure of the DBD domain of human DNA ligase IV bound to Artemis peptide
Descriptor: DNA ligase 4, Protein artemis
Authors:De Ioannes, P.E, Aggarwal, A.K.
Deposit date:2012-11-01
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2502 Å)
Cite:Structural Basis of DNA Ligase IV-Artemis Interaction in Nonhomologous End-Joining.
Cell Rep, 2, 2012
4HTO
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BU of 4hto by Molmil
Crystal structure of the DBD domain of human DNA ligase IV Apo form
Descriptor: DNA ligase 4, PHOSPHATE ION
Authors:De Ioannes, P.E, Aggarwal, A.K.
Deposit date:2012-11-01
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8068 Å)
Cite:Structural Basis of DNA Ligase IV-Artemis Interaction in Nonhomologous End-Joining.
Cell Rep, 2, 2012
6V8P
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BU of 6v8p by Molmil
Structure of DNA Polymerase Zeta (Apo)
Descriptor: DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ...
Authors:Malik, R, Gomez-Llorente, Y, Ubarretxena-Belandia, I, Aggarwal, A.K.
Deposit date:2019-12-11
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure and mechanism of B-family DNA polymerase zeta specialized for translesion DNA synthesis.
Nat.Struct.Mol.Biol., 27, 2020

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