5Z9E
 
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5Z9N
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6FEW
 | | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% | | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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6FIO
 | | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% | | Descriptor: | 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-19 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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1C6V
 | | SIV INTEGRASE (CATALYTIC DOMAIN + DNA BIDING DOMAIN COMPRISING RESIDUES 50-293) MUTANT WITH PHE 185 REPLACED BY HIS (F185H) | | Descriptor: | PROTEIN (SIU89134), PROTEIN (SIV INTEGRASE) | | Authors: | Chen, Z, Yan, Y, Munshi, S, Li, Y, Zruygay-Murphy, J, Xu, B, Witmer, M, Felock, P, Wolfe, A, Sardana, V, Emini, E.A, Hazuda, D, Kuo, L.C. | | Deposit date: | 1999-12-21 | | Release date: | 2000-12-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform.
J.Mol.Biol., 296, 2000
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4R1F
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5Z9F
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z9L
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z9Q
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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1R4E
 | | Solution structure of the Complex Formed between a Left-Handed Wedge-Shaped Spirocyclic Molecule and Bulged DNA | | Descriptor: | 5'-D(*CP*AP*CP*GP*CP*AP*GP*TP*TP*CP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*GP*AP*TP*GP*CP*GP*TP*G)-3', SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, ... | | Authors: | Hwang, G.S, Jones, G.B, Goldberg, I.H. | | Deposit date: | 2003-10-06 | | Release date: | 2004-04-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Stereochemical control of small molecule binding to bulged DNA: comparison of structures of spirocyclic enantiomer-bulged DNA complexes.
Biochemistry, 43, 2004
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2V3L
 | | Orientational and dynamical heterogeneity of Rhodamine 6G terminally attached to a DNA helix | | Descriptor: | 5'-D(*CP*AP*AP*AP*GP*CP*GP*CP*CP*AP *TP*TP*CP*GP*CP*CP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*GP*GP*CP*GP*AP*AP *TP*GP*GP*CP*GP*CP*TP*TP*TP*G)-3', RHODAMINE 6G | | Authors: | Neubauer, H, Gaiko, N, Berger, S, Schaffer, J, Eggeling, C, Tuma, J, Verdier, L, Seidel, C.A.M, Griesinger, C, Volkmer, A. | | Deposit date: | 2007-06-18 | | Release date: | 2007-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy.
J.Am.Chem.Soc., 129, 2007
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5Z4O
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5Z9B
 | | Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | | Descriptor: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-02 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z9M
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7XFZ
 | | CryoEM structure of type IV-A Csf-crRNAsp14-dsDNA ternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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7XG2
 | | CryoEM structure of type IV-A NTS-nicked dsDNA bound Csf-crRNA ternary complex | | Descriptor: | Csf1, Csf2, Csf3, ... | | Authors: | Zhang, J.T, Cui, N, Huang, H.D, Jia, N. | | Deposit date: | 2022-04-02 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Type IV-A CRISPR-Csf complex: Assembly, dsDNA targeting, and CasDinG recruitment.
Mol.Cell, 83, 2023
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5Z4H
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-01-11 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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3WRS
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5Z9P
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1IEK
 | | SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER S) | | Descriptor: | 5'-D(*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', N-OCTANE | | Authors: | Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. | | Deposit date: | 2001-04-10 | | Release date: | 2001-07-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety.
Nucleic Acids Res., 29, 2001
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3WRQ
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1N8C
 | | Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex | | Descriptor: | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*AP*CP*GP*AP*GP*G)-3' | | Authors: | Volk, D.E, Thiviyanathan, V, Rice, J.S, Luxon, B.A, Shah, J.H, Yagi, H, Sayer, J.M, Yeh, H.J.C, Jerina, D.M, Gorenstein, D.G. | | Deposit date: | 2002-11-20 | | Release date: | 2003-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex
Biochemistry, 42, 2003
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1IEY
 | | SOLUTION STRUCTURE OF THE DNA DUPLEX D(CCACCGGAAC).(GTTCCGGTGG) WITH A CHIRAL ALKYL-PHOSPHONATE MOIETY (DIAESTEREOISOMER R) | | Descriptor: | 5'-D(*GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3', 5'-D(P*CP*CP*AP*CP*CP*(OCT)GP*GP*AP*AP*C)-3', N-OCTANE | | Authors: | Soliva, R, Monaco, V, Gomez-Pinto, I, Meeuwenoord, N.J, van der Marel, G.A, van Boom, J.H, Gonzalez, C, Orozco, M. | | Deposit date: | 2001-04-11 | | Release date: | 2001-07-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex with a chiral alkyl phosphonate moiety.
Nucleic Acids Res., 29, 2001
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1ZFG
 | | CTC Duplex B-DNA | | Descriptor: | 5'-D(*CP*CP*GP*AP*GP*CP*TP*CP*GP*G)-3' | | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | | Deposit date: | 2005-04-20 | | Release date: | 2005-05-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1N4E
 | | Crystal Structure of a DNA Decamer Containing a Thymine-dimer | | Descriptor: | 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3' | | Authors: | Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C. | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a DNA decamer containing a cis-syn thymine dimer.
Proc.Natl.Acad.Sci.USA, 99, 2002
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