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1P5M
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BU of 1p5m by Molmil
Solution Structure of HCV IRES Domain IIa
Descriptor: 55-MER
Authors:Lukavsky, P.J, Kim, I, Otto, G.A, Puglisi, J.D.
Deposit date:2003-04-27
Release date:2003-11-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of HCV IRES domain II determined by NMR.
Nat.Struct.Biol., 10, 2003
7M7R
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BU of 7m7r by Molmil
Human DNA Pol eta S113A with rA-ended primer and dAMPNPP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-28
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M8B
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BU of 7m8b by Molmil
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 140 s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M8D
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BU of 7m8d by Molmil
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 300 s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M89
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BU of 7m89 by Molmil
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 0 s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M7M
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BU of 7m7m by Molmil
Human DNA Pol eta with rA-ended primer and dAMPNPP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*AP*TP*TP*TP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-28
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M8A
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BU of 7m8a by Molmil
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 40 s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M8C
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BU of 7m8c by Molmil
Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 230 s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
Authors:Gregory, M.T, Gao, Y, Yang, W.
Deposit date:2021-03-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction.
Proc.Natl.Acad.Sci.USA, 118, 2021
8QXB
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BU of 8qxb by Molmil
TDP-43 amyloid fibrils: Morphology-2
Descriptor: TAR DNA-binding protein 43
Authors:Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M.
Deposit date:2023-10-24
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
5W6X
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BU of 5w6x by Molmil
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
Descriptor: ACETIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5W6Z
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BU of 5w6z by Molmil
Crystal structure of the H24W mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
3GPO
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BU of 3gpo by Molmil
Crystal structure of macro domain of Chikungunya virus in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
5VY2
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BU of 5vy2 by Molmil
Crystal structure of the F36A mutant of HsNUDT16
Descriptor: SODIUM ION, U8 snoRNA-decapping enzyme
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-05-24
Release date:2018-11-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
1NG7
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BU of 1ng7 by Molmil
The Solution Structure of the Soluble Domain of Poliovirus 3A Protein
Descriptor: Genome polyprotein [Core protein P3A]
Authors:Strauss, D.M, Glustrom, L.W, Wuttke, D.S.
Deposit date:2002-12-16
Release date:2003-07-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Towards an understanding of the poliovirus replication complex: the solution structure of the soluble domain of the poliovirus 3A protein.
J.Mol.Biol., 330, 2003
6ZY7
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BU of 6zy7 by Molmil
Cryo-EM structure of the entire Human topoisomerase II alpha in State 1
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ...
Authors:Vanden Broeck, A, Lamour, V.
Deposit date:2020-07-30
Release date:2021-05-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
6ZY6
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BU of 6zy6 by Molmil
Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 2
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ...
Authors:Vanden Broeck, A, Lamour, V.
Deposit date:2020-07-30
Release date:2021-05-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
6ZY8
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BU of 6zy8 by Molmil
Cryo-EM structure of the entire Human topoisomerase II alpha in State 2
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ...
Authors:Vanden Broeck, A, Lamour, V.
Deposit date:2020-07-30
Release date:2021-05-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
6ZY5
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BU of 6zy5 by Molmil
Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 1
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ...
Authors:Vanden Broeck, A, Lamour, V.
Deposit date:2020-07-30
Release date:2021-05-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
4XAH
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BU of 4xah by Molmil
X-ray crystal structure of S. cerevisiae Cgi121
Descriptor: EKC/KEOPS complex subunit CGI121
Authors:Zhang, W, Graille, M, Collinet, B, van Tilbeurgh, H.
Deposit date:2014-12-14
Release date:2015-03-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
Authors:MacPherson, D.J, Sherman, W.
Deposit date:2021-09-08
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
8SVF
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BU of 8svf by Molmil
BAP1/ASXL1 bound to the H2AK119Ub Nucleosome
Descriptor: DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ...
Authors:Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J.
Deposit date:2023-05-16
Release date:2023-08-30
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1.
Sci Adv, 9, 2023
8EWV
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BU of 8ewv by Molmil
DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F.
Deposit date:2022-10-24
Release date:2023-10-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
1VYM
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BU of 1vym by Molmil
NATIVE HUMAN PCNA
Descriptor: PROLIFERATING CELL NUCLEAR ANTIGEN
Authors:Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.
Deposit date:2004-05-03
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
1VYJ
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BU of 1vyj by Molmil
Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design
Descriptor: PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK
Authors:Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D.
Deposit date:2004-04-30
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019

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