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4DFC
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BU of 4dfc by Molmil
Core UvrA/TRCF complex
Descriptor: Transcription-repair-coupling factor, UvrABC system protein A
Authors:Deaconescu, A.M, Grigorieff, N.
Deposit date:2012-01-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Nucleotide excision repair (NER) machinery recruitment by the transcription-repair coupling factor involves unmasking of a conserved intramolecular interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
5LPG
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BU of 5lpg by Molmil
Structure of NUDT15 in complex with 6-thio-GMP
Descriptor: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A.
Deposit date:2016-08-12
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
5LUS
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BU of 5lus by Molmil
Structures of DHBN domain of Pelecanus crispus BLM helicase
Descriptor: BLM helicase
Authors:Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G.
Deposit date:2016-09-09
Release date:2017-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
6XUF
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BU of 6xuf by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.E.
Deposit date:2020-01-19
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
4E1M
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BU of 4e1m by Molmil
Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor
Descriptor: (2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 Integrase
Authors:Lansdon, E.B.
Deposit date:2012-03-06
Release date:2012-04-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action.
J.Biol.Chem., 287, 2012
6XUJ
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BU of 6xuj by Molmil
HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212
Descriptor: 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Scott, D.E, Hyvonen, M.
Deposit date:2020-01-20
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimising crystallographic systems for structure-guided drug discovery
To be published
2KQC
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BU of 2kqc by Molmil
Second PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
2KQB
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BU of 2kqb by Molmil
First PBZ domain of human APLF protein
Descriptor: Aprataxin and PNK-like factor, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Brockmann, C, Yang, J.
Deposit date:2009-11-04
Release date:2010-01-19
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
Nat.Struct.Mol.Biol., 17, 2010
5M89
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BU of 5m89 by Molmil
Spliceosome component
Descriptor: Spliceosome WD40 Sc
Authors:Moura, T.R, Pena, V.
Deposit date:2016-10-28
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
5M88
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BU of 5m88 by Molmil
Spliceosome component
Descriptor: Core
Authors:Moura, T.R, Pena, V.
Deposit date:2016-10-28
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
3F8T
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BU of 3f8t by Molmil
Crystal structure analysis of a full-length MCM homolog from Methanopyrus kandleri
Descriptor: Predicted ATPase involved in replication control, Cdc46/Mcm family
Authors:Bae, B, Nair, S.K.
Deposit date:2008-11-13
Release date:2009-03-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Architecture of the Replicative Helicase from the Structure of an Archaeal MCM Homolog.
Structure, 17, 2009
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
3SYY
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BU of 3syy by Molmil
Crystal Structure of an alkaline exonuclease (LHK-Exo) from Laribacter hongkongensis
Descriptor: Exonuclease, MAGNESIUM ION
Authors:Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z.
Deposit date:2011-07-18
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
3SZ4
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BU of 3sz4 by Molmil
Crystal Structure of LHK-Exo in complex with dAMP
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Exonuclease, MAGNESIUM ION
Authors:Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z.
Deposit date:2011-07-18
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
3JCA
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BU of 3jca by Molmil
Core model of the Mouse Mammary Tumor Virus intasome
Descriptor: 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ...
Authors:Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N.
Deposit date:2015-11-24
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
5J4K
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BU of 5j4k by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
Descriptor: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
1UPG
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BU of 1upg by Molmil
Crystal structure of the quorum-sensing protein TraM from Agrobacterium tumefaciens
Descriptor: TRANSCRIPTIONAL REPRESSOR TRAM
Authors:Vannini, A, Di Marco, S.
Deposit date:2003-09-30
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Quorum-Sensing Protein Tram and its Interaction with the Transcriptional Regulator Trar
J.Biol.Chem., 279, 2004
3JVS
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BU of 3jvs by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: 2-[(4-tert-butyl-3-nitrophenyl)carbonyl]-N-naphthalen-1-ylhydrazinecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
5JEC
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BU of 5jec by Molmil
Apo-structure of humanised RadA-mutant humRadA33F
Descriptor: CHLORIDE ION, DNA repair and recombination protein RadA, SULFATE ION
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-18
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5J4H
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BU of 5j4h by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid
Descriptor: 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
3K16
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BU of 3k16 by Molmil
Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-25
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
5M8C
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BU of 5m8c by Molmil
Spliceosome component
Descriptor: Pre-mRNA-processing factor 19
Authors:Moura, T.R, Pena, V.
Deposit date:2016-10-28
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
4E1N
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BU of 4e1n by Molmil
Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor
Descriptor: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 integrase
Authors:Lansdon, E.B.
Deposit date:2012-03-06
Release date:2012-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action.
J.Biol.Chem., 287, 2012
1US6
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BU of 1us6 by Molmil
Crystal structure of the quorum-sensing protein TraM from Agrobacterium tumefaciens at 1.65 Ang. resolution
Descriptor: TRANSCRIPTIONAL REPRESSOR TRAM
Authors:Vannini, A, Di Marco, S.
Deposit date:2003-11-18
Release date:2004-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Quorum-Sensing Protein Tram and its Interaction with the Transcriptional Regulator Trar
J.Biol.Chem., 279, 2004
2IO5
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BU of 2io5 by Molmil
Crystal structure of the CIA- histone H3-H4 complex
Descriptor: ASF1A protein, Histone H3.1, Histone H4
Authors:Natsume, R, Akai, Y, Horikoshi, M, Senda, T.
Deposit date:2006-10-10
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4.
Nature, 446, 2007

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