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8AHH
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BU of 8ahh by Molmil
PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHE
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BU of 8ahe by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHF
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BU of 8ahf by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6VDK
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BU of 6vdk by Molmil
CryoEM structure of HIV-1 conserved Intasome Core
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Li, M, Chen, X, Craigie, R.
Deposit date:2019-12-27
Release date:2020-02-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A Peptide Derived from Lens Epithelium-Derived Growth Factor Stimulates HIV-1 DNA Integration and Facilitates Intasome Structural Studies.
J.Mol.Biol., 432, 2020
7NBN
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BU of 7nbn by Molmil
Allostery through DNA drives phenotype switching
Descriptor: AddAB promoter
Authors:Rosenblum, G, Elad, N, Rozenberg, H, Wiggers, F, Jungwirth, J, Hofmann, H.
Deposit date:2021-01-27
Release date:2021-04-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Allostery through DNA drives phenotype switching.
Nat Commun, 12, 2021
3HOT
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BU of 3hot by Molmil
Crystal structure of the Mos1 mariner paired end complex with Mn
Descriptor: MANGANESE (II) ION, Mos1 NTS inverted repeat DNA, Mos1 TS inverted repeat DNA, ...
Authors:Richardson, J.M, Walkinshaw, M.D.
Deposit date:2009-06-03
Release date:2009-09-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Molecular architecture of the Mos1 paired-end complex: the structural basis of DNA transposition in a eukaryote
Cell(Cambridge,Mass.), 138, 2009
2MLK
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BU of 2mlk by Molmil
Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae
Descriptor: RstA
Authors:Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T.
Deposit date:2014-03-02
Release date:2014-07-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element.
Nucleic Acids Res., 42, 2014
2H9S
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BU of 2h9s by Molmil
Crystal Structure of Homo-DNA and Nature's Choice of Pentose over Hexose in the Genetic System
Descriptor: 5'-D(*(XCT)P*(XGU)P*(XAD)P*(XAD)P*(XTH)P*(XTH)P*(XCT)P*(XGU))-3', MAGNESIUM ION
Authors:Egli, M, Pallan, P.S.
Deposit date:2006-06-11
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of homo-DNA and nature's choice of pentose over hexose in the genetic system.
J.Am.Chem.Soc., 128, 2006
1NGN
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BU of 1ngn by Molmil
Mismatch repair in methylated DNA. Structure of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
Descriptor: methyl-CpG binding protein MBD4
Authors:Wu, P, Qiu, C, Sohail, A, Zhang, X, Bhagwat, A.S, Cheng, X.
Deposit date:2002-12-17
Release date:2003-03-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mismatch repair in methylated DNA. Structure and activity of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
J.Biol.Chem., 278, 2003
4Z4B
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BU of 4z4b by Molmil
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
Descriptor: 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Wee, J.-Y, Dobson, R.C.J, White, J.M.
Deposit date:2015-04-01
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9652 Å)
Cite:2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
To Be Published
1NZB
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BU of 1nzb by Molmil
Crystal structure of wild type Cre recombinase-loxP synapse
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-02-17
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
3HOS
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BU of 3hos by Molmil
Crystal structure of the mariner Mos1 paired end complex with Mg
Descriptor: MAGNESIUM ION, Mos1 NTS inverted repeat DNA, Mos1 TS inverted repeat DNA, ...
Authors:Richardson, J.M, Walkinshaw, M.D.
Deposit date:2009-06-03
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular architecture of the Mos1 paired-end complex: the structural basis of DNA transposition in a eukaryote
Cell(Cambridge,Mass.), 138, 2009
8WOH
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BU of 8woh by Molmil
human dsDNA sensor CCDC25 complexed with 18bp DNA
Descriptor: 18bp DNA, Coiled-coil domain-containing protein 25
Authors:Wen, Y, Wu, B.X.
Deposit date:2023-10-07
Release date:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:human dsDNA sensor CCDC25 complexed with 18bp DNA
To Be Published
5GN3
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BU of 5gn3 by Molmil
Structure of selenomethionine-labelled Uracil DNA glycosylase (BdiUNG) from Bradyrhizobium diazoefficiens
Descriptor: Blr0248 protein
Authors:Patil, V.V, Chembazhi, U.V, Varshney, U, Woo, E.
Deposit date:2016-07-19
Release date:2017-05-03
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Nucleic Acids Res., 45, 2017
2QKK
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BU of 2qkk by Molmil
Human RNase H catalytic domain mutant D210N in complex with 14-mer RNA/DNA hybrid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*G)-3', ...
Authors:Nowotny, M, Gaidamakov, S.A, Ghirlando, R, Cerritelli, S.M, Crouch, R.J, Yang, W.
Deposit date:2007-07-11
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Human RNase H1 Complexed with an RNA/DNA Hybrid: Insight into HIV Reverse Transcription
Mol.Cell, 28, 2007
1CA5
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BU of 1ca5 by Molmil
INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA
Descriptor: 5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3', CHROMOSOMAL PROTEIN SAC7D
Authors:Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J.
Deposit date:1999-02-23
Release date:2000-02-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs
J.Mol.Biol., 303, 2000
1OUQ
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BU of 1ouq by Molmil
Crystal structure of wild-type Cre recombinase-loxP synapse
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-03-25
Release date:2003-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
1CA6
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BU of 1ca6 by Molmil
INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA
Descriptor: 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', CHROMOSOMAL PROTEIN SAC7D
Authors:Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J.
Deposit date:1999-02-23
Release date:2000-02-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs
J.Mol.Biol., 303, 2000
4LTH
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BU of 4lth by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (3/7)
Descriptor: BARIUM ION, DNA, Ru(tap)2(dppz) complex
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
1R0A
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BU of 1r0a by Molmil
Crystal structure of HIV-1 reverse transcriptase covalently tethered to DNA template-primer solved to 2.8 angstroms
Descriptor: 5'-D(*A*TP*GP*CP*AP*TP*CP*GP*GP*CP*GP*CP*TP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*GP*GP*T)-3', 5'-D(*C*CP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*AP*GP*CP*GP*CP*CP*GP*(2DA))-3', GLYCEROL, ...
Authors:Tuske, S, Ding, J, Arnold, E.
Deposit date:2003-09-19
Release date:2004-08-03
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nonnucleoside inhibitor binding affects the interactions of the fingers subdomain of human immunodeficiency virus type 1 reverse transcriptase with DNA.
J.Virol., 78, 2004
8UJT
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BU of 8ujt by Molmil
Crystal structure of human polymerase eta with incoming dAMPnPP nucleotide opposite urea lesion
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(XB9)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Tomar, R, Egli, M, Stone, M.P.
Deposit date:2023-10-11
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Replication Bypass of the N -(2-Deoxy-d-erythro-pentofuranosyl)-urea DNA Lesion by Human DNA Polymerase eta.
Biochemistry, 63, 2024
1QUM
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BU of 1qum by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI ENDONUCLEASE IV IN COMPLEX WITH DAMAGED DNA
Descriptor: 5'-D(*(3DR)P*CP*GP*AP*CP*GP*A)-3', 5'-D(*CP*GP*TP*CP*C)-3', 5'-D(*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*G)-3', ...
Authors:Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A.
Deposit date:1999-07-01
Release date:1999-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis.
Cell(Cambridge,Mass.), 98, 1999
7YVW
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BU of 7yvw by Molmil
NMR determination of the 2:1 binding motif structure involving cytosine flipping out for the recognition of the CGG/CGG triad DNA
Descriptor: 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, DNA (5'-D(*CP*AP*TP*TP*CP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*AP*CP*GP*GP*AP*AP*TP*G)-3')
Authors:Furuita, K, Yamada, T, Sakurabayashi, S, Nomura, M, Kojima, C, Nakatani, K.
Deposit date:2022-08-19
Release date:2023-06-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA.
Nucleic Acids Res., 50, 2022

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数据于2024-11-06公开中

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