1WQZ
| Complicated water orientations in the minor groove of B-DNA decamer D(CCATTAATGG)2 observed by neutron diffraction measurements | Descriptor: | 5'-D(*CP*CP*AP*TP*TP*AP*AP*TP*GP*G)-3' | Authors: | Arai, S, Chatake, T, Ohhara, T, Kurihara, K, Tanaka, I, Suzuki, N, Fujimoto, Z, Mizuno, H, Niimura, N. | Deposit date: | 2004-10-07 | Release date: | 2005-06-21 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (3 Å) | Cite: | Complicated water orientations in the minor groove of the B-DNA decamer d(CCATTAATGG)2 observed by neutron diffraction measurements Nucleic Acids Res., 33, 2005
|
|
1X95
| Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944) | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3' | Authors: | Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D. | Deposit date: | 2004-08-19 | Release date: | 2004-09-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug. J.Biol.Chem., 279, 2004
|
|
1K2L
| STRUCTURAL CHARACTERIZATION OF BISINTERCALATION IN HIGHER-ORDER DNA AT A JUNCTION-LIKE QUADRUPLEX | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION | Authors: | Teixeira, S.C.M, Thorpe, J.H, Todd, A.K, Powell, H.R, Adams, A, Wakelin, L.P.G, Denny, W.A, Cardin, C.J. | Deposit date: | 2001-09-28 | Release date: | 2002-10-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Characterisation of Bisintercalation in Higher-order DNA at a Junction-like Quadruplex J.MOL.BIOL., 323, 2002
|
|
1Y97
| |
1ZBL
| Bacillus halodurans RNase H catalytic domain mutant D192N in complex with 12-mer RNA/DNA hybrid | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3', 5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3', MAGNESIUM ION, ... | Authors: | Nowotny, M, Gaidamakov, S.A, Crouch, R.J, Yang, W. | Deposit date: | 2005-04-08 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of RNase H Bound to an RNA/DNA Hybrid: Substrate Specificity and Metal-Dependent Catalysis. Cell(Cambridge,Mass.), 121, 2005
|
|
5CTW
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5CTX
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
|
|
5CPH
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-21 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
|
|
4E2R
| |
5CTU
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
|
|
4E4O
| |
5CTY
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
|
|
1QSK
| NMR-DERIVED SOLUTION STRUCTURE OF A FIVE-ADENINE BULGE LOOP WITHIN A DNA DUPLEX | Descriptor: | 5'-D(CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*CP)-3', 5'-D(GP*CP*AP*TP*CP*GP*AP*AP*AP*AP*AP*GP*CP*TP*AP*CP*GP)-3' | Authors: | Dornberger, U, Hillisch, A, Gollmick, F, Fritzsche, H, Diekmann, S. | Deposit date: | 1999-06-22 | Release date: | 1999-11-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a five-adenine bulge loop within a DNA duplex. Biochemistry, 38, 1999
|
|
4DA3
| Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound MM41. | Descriptor: | 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-12 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
|
|
4DAQ
| Crystal structure of an intramolecular human telomeric DNA G-quadruplex 21-mer bound by the naphthalene diimide compound BMSG-SH-3 | Descriptor: | 2,7-bis[3-(4-methylpiperazin-1-yl)propyl]-4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2012-01-13 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.754 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
|
|
1RNI
| Bifunctional DNA primase/polymerase domain of ORF904 from the archaeal plasmid pRN1 | Descriptor: | ORF904, ZINC ION | Authors: | Lipps, G, Weinzierl, A.O, von Scheven, G, Buchen, C, Cramer, P. | Deposit date: | 2003-12-01 | Release date: | 2004-01-27 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of a bifunctional DNA primase-polymerase Nat.Struct.Mol.Biol., 11, 2004
|
|
1S0T
| Solution structure of a DNA duplex containing an alpha-anomeric adenosine: insights into substrate recognition by endonuclease IV | Descriptor: | 5'-D(*Cp*Gp*Tp*Cp*Gp*Tp*Gp*Gp*Ap*C)-3', 5'-D(*Gp*Tp*Cp*Cp*(A3A)p*Cp*Gp*Ap*Cp*G)-3' | Authors: | Aramini, J.M, Cleaver, S.H, Pon, R.T, Cunningham, R.P, Germann, M.W. | Deposit date: | 2004-01-04 | Release date: | 2004-04-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a DNA Duplex Containing an alpha-Anomeric Adenosine: Insights into Substrate Recognition by Endonuclease IV. J.Mol.Biol., 338, 2004
|
|
1NP9
| |
7W9N
| THE STRUCTURE OF OBA33-OTA COMPLEX | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER) | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2021-12-10 | Release date: | 2022-01-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer. J.Am.Chem.Soc., 144, 2022
|
|
1RN9
| A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | Deposit date: | 2003-12-01 | Release date: | 2004-08-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole. J.Am.Chem.Soc., 126, 2004
|
|
1YCW
| |
2WKC
| |
1S75
| SOLUTION STRUCTURE OF A DNA DUPLEX CONTAINING AN ALPHA-ANOMERIC ADENOSINE: INSIGHTS INTO SUBSTRATE RECOGNITION BY ENDONUCLEASE IV | Descriptor: | 5'-D(*CP*GP*TP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*(A3A)P*CP*GP*AP*CP*G)-3' | Authors: | Aramini, J.M, Cleaver, S.H, Pon, R.T, Cunningham, R.P, Germann, M.W. | Deposit date: | 2004-01-28 | Release date: | 2004-04-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a DNA Duplex Containing an alpha-Anomeric Adenosine: Insights into Substrate Recognition by Endonuclease IV. J.Mol.Biol., 338, 2004
|
|
3UYH
| Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41 | Descriptor: | 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence | Authors: | Collie, G.W, Neidle, S. | Deposit date: | 2011-12-06 | Release date: | 2013-01-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells. J.Med.Chem., 56, 2013
|
|
1JU0
| |