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3GIK
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BU of 3gik by Molmil
Dpo4 extension ternary complex with the oxoG(anti)-C(anti) pair
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DOC))-3', ...
Authors:Rechkoblit, O, Malinina, L, Patel, D.J.
Deposit date:2009-03-05
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Impact of conformational heterogeneity of OxoG lesions and their pairing partners on bypass fidelity by Y family polymerases.
Structure, 17, 2009
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
3RB3
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BU of 3rb3 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer A base opposite the 1-methylguanine (m1g) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RBD
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BU of 3rbd by Molmil
Dpo4 extension ternary complex with 3'-terminal primer C base opposite the 3-methylcytosine (m3c) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-29
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RB0
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BU of 3rb0 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer G base opposite the 1-methylguanine (M1G) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*C*CP*TP*AP*AP*CP*(MG1)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3'), ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.225 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RB6
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BU of 3rb6 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer A base opposite the 3-methylcytosine (m3c) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RBE
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BU of 3rbe by Molmil
Dpo4 extension ternary complex with 3'-terminal primer t base opposite the 3-methylcytosine (m3c) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*C*CP*TP*AP*AP*CP*(ME6)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3'), ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-29
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RAQ
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BU of 3raq by Molmil
Dpo4 extension ternary complex with 3'-terminal primer C base opposite the 1-methylguanine (MG1) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RAX
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BU of 3rax by Molmil
Dpo4 extension ternary complex with 3'-terminal primer T base opposite the 1-methylguanine (M1G) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*CP*TP*AP*AP*CP*(MG1)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3'), ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
3RB4
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BU of 3rb4 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer G base opposite the 3-methylcytosine (m3c) lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*C*CP*TP*AP*AP*CP*(ME6)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3'), ...
Authors:Rechkoblit, O, Patel, D.J.
Deposit date:2011-03-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
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
4EEY
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BU of 4eey by Molmil
Crystal structure of human DNA polymerase eta in ternary complex with a cisplatin DNA adduct
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*GP*GP*TP*CP*TP*CP*CP*TP*CP*C)-3', 5'-D(*TP*GP*GP*AP*GP*GP*AP*GP*A)-3', ...
Authors:Ummat, A, Rechkoblit, O, Jain, R, Choudhury, J.R, Johnson, R.E, Silverstein, T.D, Buku, A, Lone, S, Prakash, L, Prakash, S, Aggarwal, A.K.
Deposit date:2012-03-28
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis for cisplatin DNA damage tolerance by human polymerase {eta} during cancer chemotherapy.
Nat.Struct.Mol.Biol., 19, 2012
8URK
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BU of 8urk by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrates
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA1, DNA2, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2023-10-26
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9C3S
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BU of 9c3s by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTATAC as recognition sequence
Descriptor: DNA1, DNA2, Methyltransferase, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2024-06-02
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9C3T
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BU of 9c3t by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTAAAC as recognition sequence
Descriptor: DNA1, DNA2, Methyltransferase, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2024-06-02
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9C3U
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BU of 9c3u by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTTTAC as recognition sequence
Descriptor: DNA1, DNA2, Methyltransferase, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2024-06-02
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
7TW9
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BU of 7tw9 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to Sinefungin
Descriptor: DI(HYDROXYETHYL)ETHER, ETHANOL, METHANOL, ...
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2022-02-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
7TW8
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BU of 7tw8 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera, ZINC ION
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2022-02-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
7TW7
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BU of 7tw7 by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SAM
Descriptor: S-ADENOSYLMETHIONINE, Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera, ZINC ION
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2022-02-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:High-resolution structures of the SARS-CoV-2 N7-methyltransferase inform therapeutic development.
Nat.Struct.Mol.Biol., 29, 2022
8FRK
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BU of 8frk by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC8158
Descriptor: 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, ETHANOL, POTASSIUM ION, ...
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2023-01-07
Release date:2023-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023
8FRJ
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BU of 8frj by Molmil
Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC0946
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera, ZINC ION
Authors:Kottur, J, Aggarwal, A.K.
Deposit date:2023-01-07
Release date:2023-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023

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数据于2024-10-30公开中

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