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7QQT
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SpCas9 bound to FANCF off-target1 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target1 non-target strand, FANCF off-target1 target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QR8
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BU of 7qr8 by Molmil
SpCas9 bound to PTPRC off-target1 DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQP
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BU of 7qqp by Molmil
SpCas9 bound to AAVS1 off-target3 DNA substrate
Descriptor: 1,2-ETHANEDIOL, AAVS1 off-target3 non-target strand, AAVS1 off-target3 target strand, ...
Authors:Pacesa, M, JInek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQS
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BU of 7qqs by Molmil
SpCas9 bound to FANCF on-target DNA substrate
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, FANCF on-target non-target strand, FANCF on-target target strand, ...
Authors:Pacesa, M, Jinek, M.
Deposit date:2022-01-10
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7C7O
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BU of 7c7o by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
7C7N
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Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Ushiyama, F.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
1TW8
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BU of 1tw8 by Molmil
HincII bound to Ca2+ and cognate DNA GTCGAC
Descriptor: 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3', CALCIUM ION, Hinc II endonuclease, ...
Authors:Etzkorn, C, Horton, N.C.
Deposit date:2004-06-30
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ca2+ binding in the active site of HincII: implications for the catalytic mechanism
Biochemistry, 43, 2004
1Z1D
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BU of 1z1d by Molmil
Structural Model for the interaction between RPA32 C-terminal domain and SV40 T antigen origin binding domain.
Descriptor: Large T antigen, Replication protein A 32 kDa subunit
Authors:Arunkumar, A.I, Klimovich, V, Jiang, X, Ott, R.D, Mizoue, L, Fanning, E, Chazin, W.J.
Deposit date:2005-03-03
Release date:2005-05-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Insights into hRPA32 C-terminal domain--mediated assembly of the simian virus 40 replisome.
Nat.Struct.Mol.Biol., 12, 2005
1IDW
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BU of 1idw by Molmil
STRUCTURE OF THE HYBRID RNA/DNA R-GCUUCGGC-D[CL]U IN PRESENCE OF RH(NH3)6+++
Descriptor: 5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(UCL))-3', CHLORIDE ION, RHODIUM HEXAMINE ION
Authors:Cruse, W, Saludjian, P, Neuman, A, Prange, T.
Deposit date:2001-04-05
Release date:2001-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Destabilizing effect of a fluorouracil extra base in a hybrid RNA duplex compared with bromo and chloro analogues
Acta Crystallogr.,Sect.D, 57, 2001
1IHA
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BU of 1iha by Molmil
Structure of the Hybrid RNA/DNA R-GCUUCGGC-D[BR]U in Presence of RH(NH3)6+++
Descriptor: 5'-R(*GP*CP*UP*UP*CP*GP*GP*C)-D(P*(BRU))-3', CHLORIDE ION, RHODIUM HEXAMINE ION
Authors:Cruse, W.B, Saludjian, P, Neuman, A, Prange, T.
Deposit date:2001-04-19
Release date:2001-05-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Destabilizing effect of a fluorouracil extra base in a hybrid RNA duplex compared with bromo and chloro analogues.
Acta Crystallogr.,Sect.D, 57, 2001
8SYJ
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BU of 8syj by Molmil
Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form)
Descriptor: GLYCEROL, IODIDE ION, SULFATE ION, ...
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-05-25
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
1U0D
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BU of 1u0d by Molmil
Y33H Mutant of Homing endonuclease I-CreI
Descriptor: 5'-D(*CP*GP*GP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*TP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*AP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*CP*CP*G)-3', DNA endonuclease I-CreI
Authors:Sussman, D, Chadsey, M, Fauce, S, Engel, A, Bruett, A, Monnat, R, Stoddard, B.L, Seligman, L.M.
Deposit date:2004-07-13
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Isolation and characterization of new homing endonuclease specificities at individual target site positions.
J.Mol.Biol., 342, 2004
4CSA
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BU of 4csa by Molmil
Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to a DNA 4-mer
Descriptor: 5'-D(*AP*GP*TP*TP*AP)-3', GLYCEROL, M2-1, ...
Authors:Leyrat, C, Renner, M, Harlos, K, Grimes, J.M.
Deposit date:2014-03-05
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Elife, 3, 2014
7EDB
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BU of 7edb by Molmil
EcoT38I restriction endonuclease complexed with DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kita, K, Mikami, B.
Deposit date:2021-03-15
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural analysis of EcoT38I restriction endonuclease
To Be Published
8T4N
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BU of 8t4n by Molmil
DB1976 Bound to the DNA Sequence 5'-CGCGAATTCGCG-3
Descriptor: (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Terrell, J.R, Poon, G.M.K, Wilson, W.D.
Deposit date:2023-06-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders
To Be Published
5U6K
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BU of 5u6k by Molmil
Crystal structure of TopBP1 BRCT4/5 in complex with a BLM phosphopeptide
Descriptor: Bloom Sydrome recQ helicase like protein (BLM), DNA topoisomerase 2-binding protein 1
Authors:Glover, J.N.M, Sun, L, Edwards, R.A.
Deposit date:2016-12-08
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insight into BLM Recognition by TopBP1.
Structure, 25, 2017
7ZUR
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BU of 7zur by Molmil
Four carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Descriptor: 16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
Authors:Bazzicalupi, C, Ferraroni, M, Gratteri, P, Papi, F.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
1AL0
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BU of 1al0 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
Descriptor: CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ...
Authors:Rossmann, M.G, Dokland, T.
Deposit date:1997-06-06
Release date:1998-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
8AAD
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BU of 8aad by Molmil
Two carbons pendant pyridine derivative of the natural alkaloid Berberine as Human Telomeric G-quadruplex Binder
Descriptor: 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene, DNA TAGGGTTAGGGT, POTASSIUM ION
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
Deposit date:2022-07-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and In Silico Analysis.
Int J Mol Sci, 23, 2022
7E8I
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BU of 7e8i by Molmil
Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin
Descriptor: BRCA1-associated RING domain protein 1, DNA (145-MER), Histone H2A, ...
Authors:Dai, Y, Dai, L, Zhou, Z.
Deposit date:2021-03-01
Release date:2021-06-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin.
Mol.Cell, 81, 2021
3N5N
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BU of 3n5n by Molmil
Crystal structure analysis of the catalytic domain and interdomain connector of human MutY homologue
Descriptor: A/G-specific adenine DNA glycosylase, ACETATE ION, IRON/SULFUR CLUSTER
Authors:Toth, E.A, Luncsford, P.J.
Deposit date:2010-05-25
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural hinge in eukaryotic MutY homologues mediates catalytic activity and Rad9-Rad1-Hus1 checkpoint complex interactions.
J.Mol.Biol., 403, 2010
1NHH
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BU of 1nhh by Molmil
Crystal structure of N-terminal 40KD MutL protein (LN40) complex with ADPnP and one Rubidium
Descriptor: 1,2-ETHANEDIOL, DNA mismatch repair protein mutL, MAGNESIUM ION, ...
Authors:Hu, X, Machius, M, Yang, W.
Deposit date:2002-12-19
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Monovalent cation dependence and preference of GHKL ATPases and kinases
FEBS Lett., 544, 2003
5HGK
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BU of 5hgk by Molmil
HIV-1 CA N-terminal domain, open conformation
Descriptor: CHLORIDE ION, Capsid protein
Authors:Jacques, D.A, Price, A.J, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5HGM
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BU of 5hgm by Molmil
Hexameric HIV-1 CA in complex with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Capsid protein P24
Authors:Jacques, D.A, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
Authors:Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
Deposit date:2011-11-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012

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