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PDB: 260 件
7KBP
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Herceptin Diabody with R83T, E85C Mutations
分子名称: GLYCEROL, Single-chain Fv
著者Chesterman, C, Arnold, E.
登録日2020-10-02
公開日2021-03-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Co-crystallization with diabodies: A case study for the introduction of synthetic symmetry.
Structure, 29, 2021
2NCK
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CRYSTAL STRUCTURE OF MYXOCOCCUS XANTHUS NUCLEOSIDE DIPHOSPHATE KINASE AND ITS INTERACTION WITH A NUCLEOTIDE SUBSTRATE AT 2.0 ANGSTROMS RESOLUTION
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Williams, R.L, Oren, D.A, Arnold, E.
登録日1993-11-15
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Myxococcus xanthus nucleoside diphosphate kinase and its interaction with a nucleotide substrate at 2.0 A resolution.
J.Mol.Biol., 234, 1993
6AN8
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.0
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6ASW
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.0
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-25
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6AVT
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO FIRST BASE TEMPLATE OVERHANG
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-09-04
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6AVM
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-09-03
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6AN2
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BU of 6an2 by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-11
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6AMO
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BU of 6amo by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-10
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
7KBM
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BU of 7kbm by Molmil
Reverse Transcriptase Diabody with R83C Mutation Crystallized in C2
分子名称: Single-chain scFv
著者Chesterman, C, Arnold, E.
登録日2020-10-02
公開日2021-03-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystallization with diabodies: A case study for the introduction of synthetic symmetry.
Structure, 29, 2021
6ANQ
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BU of 6anq by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.5
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-14
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
6BHJ
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BU of 6bhj by Molmil
Structure of HIV-1 Reverse Transcriptase Bound to a 38-mer Hairpin Template-Primer RNA-DNA Aptamer
分子名称: 38-MER RNA-DNA Aptamer, GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
著者Ruiz, F.X, Miller, M.T, Tuske, S, Das, K, Arnold, E.
登録日2017-10-30
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Integrative Structural Biology Studies of HIV-1 Reverse Transcriptase Binding to a High-Affinity DNA Aptamer
Curr Res Struct Biol, 2020
1HYS
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BU of 1hys by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH A POLYPURINE TRACT RNA:DNA
分子名称: 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*GP*GP*CP*TP*G)-3', 5'-R(*UP*CP*AP*GP*CP*CP*AP*CP*UP*UP*UP*UP*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', FAB-28 MONOCLONAL ANTIBODY FRAGMENT HEAVY CHAIN, ...
著者Sarafianos, S.G, Das, K, Tantillo, C, Clark Jr, A.D, Ding, J, Whitcomb, J, Boyer, P.L, Hughes, S.H, Arnold, E.
登録日2001-01-22
公開日2001-03-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA.
EMBO J., 20, 2001
5D3G
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BU of 5d3g by Molmil
Structure of HIV-1 Reverse Transcriptase Bound to a Novel 38-mer Hairpin Template-Primer DNA Aptamer
分子名称: DNA aptamer (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ...
著者Miller, M.T, Tuske, S, Das, K, Arnold, E.
登録日2015-08-06
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer.
Protein Sci., 25, 2016
3KLH
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BU of 3klh by Molmil
Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
分子名称: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
著者Tu, X, Sarafianos, S.G, Arnold, E.
登録日2009-11-07
公開日2010-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
7LPX
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BU of 7lpx by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14270
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Arnold, E.
登録日2021-02-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LQU
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BU of 7lqu by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14075
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E.
登録日2021-02-15
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LPW
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BU of 7lpw by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14189
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ...
著者Losada, N, Ruiz, F.X, Arnold, E.
登録日2021-02-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
5CYQ
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BU of 5cyq by Molmil
HIV-1 reverse transcriptase complexed with 4-bromopyrazole
分子名称: 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, BROMIDE ION, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-30
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
5CW1
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BU of 5cw1 by Molmil
Proteinase K complexed with 4-iodopyrazole
分子名称: 4-IODOPYRAZOLE, IODIDE ION, Proteinase K, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-27
公開日2015-12-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
3IS9
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BU of 3is9 by Molmil
Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate).
分子名称: Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
著者Ho, W.C, Bauman, J.D, Das, K, Arnold, E.
登録日2009-08-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
3IRX
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BU of 3irx by Molmil
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
分子名称: (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H
著者Ho, W.C, Arnold, E.
登録日2009-08-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
J.Med.Chem., 52, 2009
3S24
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BU of 3s24 by Molmil
Crystal structure of human mRNA guanylyltransferase
分子名称: SULFATE ION, mRNA-capping enzyme
著者Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J.
登録日2011-05-16
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.0137 Å)
主引用文献Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
8UOB
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BU of 8uob by Molmil
SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
分子名称: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
登録日2023-10-19
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024

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