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2M93
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BU of 2m93 by Molmil
Structure of d[TTGGGTGGGCGCGAAGCATTCGCGGGGTGGGT] quadruplex-duplex hybrid
Descriptor: 32-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
8U4W
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BU of 8u4w by Molmil
The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
Authors:Marcotte, D.J.
Deposit date:2023-09-11
Release date:2024-03-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024
6BZG
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BU of 6bzg by Molmil
Structure of S. cerevisiae Zip2:Spo16 complex, P212121 form
Descriptor: HEXAETHYLENE GLYCOL, Protein ZIP2, SULFATE ION, ...
Authors:Arora, K, Corbett, K.D.
Deposit date:2017-12-23
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The conserved XPF:ERCC1-like Zip2:Spo16 complex controls meiotic crossover formation through structure-specific DNA binding.
Nucleic Acids Res., 47, 2019
5VAJ
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BU of 5vaj by Molmil
BhRNase H - amide-RNA/DNA complex
Descriptor: ACETATE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), GLYCEROL, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-03-27
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Amide linkages mimic phosphates in RNA interactions with proteins and are well tolerated in the guide strand of short interfering RNAs.
Nucleic Acids Res., 45, 2017
5A78
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BU of 5a78 by Molmil
Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved
Descriptor: 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ...
Authors:Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
Deposit date:2015-07-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
5YZY
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BU of 5yzy by Molmil
AtVAL1 B3 domain in complex with 13bp-DNA
Descriptor: B3 domain-containing transcription repressor VAL1, DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*A)-3'), ...
Authors:Wu, B.X, Zhang, M.M.
Deposit date:2017-12-17
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural insight into the role of VAL1 B3 domain for targeting to FLC locus in Arabidopsis thaliana.
Biochem. Biophys. Res. Commun., 2018
2IH5
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BU of 2ih5 by Molmil
Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing an abasic site analog at the target base partner position
Descriptor: 5'-D(*GP*AP*CP*AP*(3DR)P*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ...
Authors:Lenz, T, Scheidig, A.J, Weinhold, E.
Deposit date:2006-09-25
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of the target base partner on the methylation rate of the adenine-specific DNA methyltransferase M.TaqI
To be Published
7OT6
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BU of 7ot6 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282
Descriptor: (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine, DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-09
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTX
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BU of 7otx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257
Descriptor: (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OUT
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BU of 7out by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264
Descriptor: (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-13
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTK
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BU of 7otk by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233
Descriptor: (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTA
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BU of 7ota by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230
Descriptor: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-09
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
6BZF
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BU of 6bzf by Molmil
Structure of S. cerevisiae Zip2:Spo16 complex, C2 form
Descriptor: Protein ZIP2, Sporulation-specific protein 16
Authors:Arora, K, Corbett, K.D.
Deposit date:2017-12-23
Release date:2018-02-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:The conserved XPF:ERCC1-like Zip2:Spo16 complex controls meiotic crossover formation through structure-specific DNA binding.
Nucleic Acids Res., 47, 2019
1RYU
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BU of 1ryu by Molmil
Solution Structure of the SWI1 ARID
Descriptor: SWI/SNF-related, matrix-associated, actin-dependent regulator of chromatin subfamily F member 1
Authors:Kim, S, Zhang, Z, Upchurch, S, Isern, N, Chen, Y.
Deposit date:2003-12-22
Release date:2004-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and DNA-binding sites of the SWI1 AT-rich interaction domain (ARID) suggest determinants for sequence-specific DNA recognition.
J.Biol.Chem., 279, 2004
7OTN
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BU of 7otn by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247
Descriptor: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTZ
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BU of 7otz by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259
Descriptor: (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Martinez, S.E, Singh, A.K, Gu, W, Das, K.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
1S7E
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BU of 1s7e by Molmil
Solution structure of HNF-6
Descriptor: Hepatocyte nuclear factor 6
Authors:Liao, X, Sheng, W.
Deposit date:2004-01-29
Release date:2004-12-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the hepatocyte nuclear factor 6alpha and its interaction with DNA.
J.Biol.Chem., 279, 2004
7O0N
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BU of 7o0n by Molmil
Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and monothiophosphate
Descriptor: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Altegoer, F, Bange, G.
Deposit date:2021-03-26
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
6BHV
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BU of 6bhv by Molmil
Human PARP-1 bound to NAD+ analog benzamide adenine dinucleotide (BAD)
Descriptor: Poly [ADP-ribose] polymerase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Authors:Pascal, J.M, Langelier, M.F.
Deposit date:2017-10-31
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD+analog reveals PARP-1 substrate-blocking mechanism and allosteric communication from catalytic center to DNA-binding domains.
Nat Commun, 9, 2018
4M32
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BU of 4m32 by Molmil
Crystal structure of gated-pore mutant D138N of second DNA-Binding protein under starvation from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ...
Authors:Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D.
Deposit date:2013-08-06
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
6C5D
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BU of 6c5d by Molmil
N-terminal domain of Helicobacter pylori LlaJI.R1
Descriptor: LlaJI.R1
Authors:Hosford, C.J, Chappie, J.S.
Deposit date:2018-01-16
Release date:2018-06-27
Last modified:2018-08-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The crystal structure of theHelicobacter pyloriLlaJI.R1 N-terminal domain provides a model for site-specific DNA binding.
J. Biol. Chem., 293, 2018
8KAG
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BU of 8kag by Molmil
Crystal structure of SpyCas9 in complex with sgRNA and target RNA
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, RNA (5'-R(*CP*CP*AP*CP*UP*UP*CP*AP*AP*UP*UP*AP*GP*AP*AP*CP*AP*CP*GP*GP*AP*CP*C)-3'), RNA (98-MER)
Authors:Chen, Y, Chen, J, Liu, L.
Deposit date:2023-08-03
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.88 Å)
Cite:Trans-nuclease activity of Cas9 activated by DNA or RNA target binding.
Nat.Biotechnol., 2024
3M7K
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BU of 3m7k by Molmil
Crystal structure of PacI-DNA Enzyme product complex
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*AP*AP*T)-3'), DNA (5'-D(P*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2010-03-16
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
5YZZ
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BU of 5yzz by Molmil
AtVAL1 B3 domain in complex with 13bp-DNA
Descriptor: B3 domain-containing transcription repressor VAL1, DNA (5'-D(*AP*TP*TP*CP*TP*GP*CP*AP*TP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*CP*CP*AP*TP*GP*CP*AP*GP*AP*A)-3')
Authors:Wu, B.X, Zhang, M.M.
Deposit date:2017-12-17
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural insight into the role of VAL1 B3 domain for targeting to FLC locus in Arabidopsis thaliana.
Biochem. Biophys. Res. Commun., 2018
4M94
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BU of 4m94 by Molmil
d(ATCCGTTATAACGGAT) complexed with Moloney Murine Leukemia virus reverse transcriptase catalytic fragment
Descriptor: 1,2-ETHANEDIOL, 5' d(ATCCGttA) 3', 5' d(TAACGGAT) 3', ...
Authors:Singh, I.
Deposit date:2013-08-14
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The structure of an authentic spore photoproduct lesion in DNA suggests a basis for recognition.
Acta Crystallogr.,Sect.D, 70, 2014

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