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7RIM
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RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1
分子名称: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RIP
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RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP
分子名称: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RIW
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BU of 7riw by Molmil
RNA polymerase II elongation complex scaffold 2, without polyamide
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RIX
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BU of 7rix by Molmil
RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2
分子名称: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
著者Oh, J, Dervan, P.B, Wang, D.
登録日2021-07-20
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FEJ
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BU of 7fej by Molmil
Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55
分子名称: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ...
著者He, Y, Li, K, Lou, Z.
登録日2021-07-20
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
7RE3
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BU of 7re3 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RDX
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BU of 7rdx by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RDZ
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BU of 7rdz by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - apo class
分子名称: ADENOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RE2
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BU of 7re2 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(1)-RTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RE0
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BU of 7re0 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - swiveled class
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RDY
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BU of 7rdy by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7RE1
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BU of 7re1 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC (composite)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-12-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
7P35
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BU of 7p35 by Molmil
Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir
分子名称: 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
著者Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M.
登録日2021-07-07
公開日2021-07-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
7RC1
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BU of 7rc1 by Molmil
X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686
分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RBZ
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BU of 7rbz by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-017-20
分子名称: 3C-like proteinase, 5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7RC0
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BU of 7rc0 by Molmil
X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20
分子名称: 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION
著者Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
7P2G
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BU of 7p2g by Molmil
Identification of low micromolar SARS-CoV-2 Mpro inhibitors from hits identified by in silico screens
分子名称: (4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide, 3C-like proteinase
著者Rempel, S, Halazonetis, T.D.
登録日2021-07-05
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-covalent SARS-CoV-2 M pro inhibitors developed from in silico screen hits.
Sci Rep, 12, 2022
7P27
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BU of 7p27 by Molmil
NMR solution structure of Chikungunya virus macro domain
分子名称: Polyprotein P1234
著者Lykouras, M.V, Tsika, A.C, Papageorgiou, N, Canard, B, Coutard, B, Bentrop, D, Spyroulias, G.A.
登録日2021-07-04
公開日2022-07-13
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
7OZV
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BU of 7ozv by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with G
分子名称: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
著者Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
登録日2021-06-28
公開日2021-08-18
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
7OZU
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BU of 7ozu by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A
分子名称: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
著者Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
登録日2021-06-28
公開日2021-08-18
最終更新日2021-09-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
7OYG
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BU of 7oyg by Molmil
Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase
分子名称: RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase (nsp12), ...
著者Jochheim, F.A, Tegunov, D, Hillen, H.S, Schmitzova, J, Kokic, G, Dienemann, C, Cramer, P.
登録日2021-06-24
公開日2021-08-25
最終更新日2021-09-01
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献The structure of a dimeric form of SARS-CoV-2 polymerase
Communications Biology, 4, 2021
7F4G
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BU of 7f4g by Molmil
Structure of RPAP2-bound RNA polymerase II
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
著者Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y.
登録日2021-06-18
公開日2021-07-07
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex.
Cell Rep, 39, 2022
7N8F
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BU of 7n8f by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
分子名称: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-06-14
公開日2022-06-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N7I
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BU of 7n7i by Molmil
X-ray crystal structure of Viperin-like enzyme from Trichoderma virens
分子名称: IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, URIDINE 5'-TRIPHOSPHATE, ...
著者Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
登録日2021-06-10
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
7N7H
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BU of 7n7h by Molmil
X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis
分子名称: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ...
著者Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
登録日2021-06-10
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021

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