1D32
| DRUG-INDUCED DNA REPAIR: X-RAY STRUCTURE OF A DNA-DITERCALINIUM COMPLEX | Descriptor: | DITERCALINIUM, DNA (5'-D(*CP*GP*CP*G)-3') | Authors: | Gao, Q, Williams, L.D, Egli, M, Rabinovich, D, Chen, S.-L, Quigley, G.J, Rich, A. | Deposit date: | 1991-01-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Drug-induced DNA repair: X-ray structure of a DNA-ditercalinium complex. Proc.Natl.Acad.Sci.USA, 88, 1991
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1CS7
| SYNTHETIC DNA HAIRPIN WITH STILBENEDIETHER LINKER | Descriptor: | 5'-D(GP*(BRU)P*TP*TP*TP*GP*(S02)*CP*AP*AP*AP*AP*C)-3', STRONTIUM ION | Authors: | Lewis, F.D, Liu, X, Wu, Y, Miller, S.E, Wasielewski, M.R, Letsinger, R.L, Sanishvili, R, Joachimiak, A, Tereshko, V, Egli, M. | Deposit date: | 1999-08-17 | Release date: | 2001-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Photoinduced Electron Transfer in Exceptionally Stable Synthetic DNA Hairpins with Stilbenediether Linkers J.Am.Chem.Soc., 121, 1999
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1MLX
| Crystal Structure Analysis of a 2'-O-[2-(Methylthio)-ethyl]-Modified Oligodeoxynucleotide Duplex | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*SMTP*AP*CP*GP*C)-3' | Authors: | Prakash, T.P, Manoharan, M, Kawasaki, A.M, Fraser, A.S, Lesnik, E.A, Sioufi, N, Leeds, J.M, Teplova, M, Egli, M. | Deposit date: | 2002-08-31 | Release date: | 2002-12-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 2'-O-[2-(Methylthio)ethyl]-Modified Oligonucleotide: An Analogue of 2'-O-[2-(Methoxy)-ethyl]-Modified
Oligonucleotide with Improved Protein Binding Properties and High Binding Affinity to Target RNA Biochemistry, 41, 2002
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1D14
| STRUCTURE OF 11-DEOXYDAUNOMYCIN BOUND TO DNA CONTAINING A PHOSPHOROTHIOATE | Descriptor: | 6-DEOXYDAUNOMYCIN, DNA (5'-D(*CP*GP*TP*(AS)P*CP*G)-3') | Authors: | Williams, L.D, Egli, M, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Quigley, G.J, Wang, A.H.-J, Rich, A, Frederick, C.A. | Deposit date: | 1989-10-20 | Release date: | 1990-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of 11-deoxydaunomycin bound to DNA containing a phosphorothioate. J.Mol.Biol., 215, 1990
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1NZG
| Crystal structure of A-DNA decamer GCGTA(3ME)ACGC, with a modified 5-methyluridine | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(3ME)P*AP*CP*GP*C)-3' | Authors: | Prhavc, M, Prakash, T.P, Minasov, G, Egli, M, Manoharan, M. | Deposit date: | 2003-02-17 | Release date: | 2003-08-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2'-O-[2-[2-(N,N-dimethylamino)ethoxy]ethyl] modified oligonucleotides: symbiosis of charge interaction factors and stereoelectronic effects Org.Lett., 5, 2003
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1R3G
| 1.16A X-ray structure of the synthetic DNA fragment with the incorporated 2'-O-[(2-Guanidinium)ethyl]-5-methyluridine residues | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(GMU)P*AP*CP*GP*C)-3'), MAGNESIUM ION | Authors: | Prakash, T.P, Puschl, A, Lesnik, E, Tereshko, V, Egli, M, Manoharan, M. | Deposit date: | 2003-10-01 | Release date: | 2003-10-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | 2'-O-[2-(Guanidinium)ethyl]-Modified Oligonucleotides: Stabilizing Effect on Duplex and Triplex Structures. Org.Lett., 6, 2004
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8FTJ
| Crystal structure of human NEIL1 (P2G (242K) C(delta)100) glycosylase bound to DNA duplex containing urea | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*TP*CP*CP*AP*UDV*GP*TP*CP*TP*AP*CP)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*GP*G)-3'), ... | Authors: | Tomar, R, Sharma, P, Harp, J.M, Egli, M, Stone, M.P. | Deposit date: | 2023-01-12 | Release date: | 2023-04-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Base excision repair of the N-(2-deoxy-d-erythro-pentofuranosyl)-urea lesion by the hNEIL1 glycosylase. Nucleic Acids Res., 51, 2023
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1P4F
| DEATH ASSOCIATED PROTEIN KINASE CATALYTIC DOMAIN WITH BOUND INHIBITOR FRAGMENT | Descriptor: | 5,6-Dihydro-benzo[H]cinnolin-3-ylamine, Death-associated protein kinase 1 | Authors: | Velentza, A.V, Wainwright, M.S, Zasadzki, M, Mirzoeva, S, Haiech, J, Focia, P.J, Egli, M, Watterson, D.M. | Deposit date: | 2003-04-23 | Release date: | 2004-09-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An aminopyridazine-based inhibitor of a pro-apoptotic protein kinase attenuates hypoxia-ischemia induced acute brain injury. Bioorg.Med.Chem.Lett., 13, 2003
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1JKL
| 1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKS
| 1.5A X-RAY STRUCTURE OF APO FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-13 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKT
| TETRAGONAL CRYSTAL FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-13 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKK
| 2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG. | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1KGK
| Direct Observation of a Cytosine Analog that Forms Five Hydrogen Bonds to Guanosine; Guanyl G-Clamp | Descriptor: | 5'-D(*GP*(GCK)P*GP*TP*AP*TP*AP*CP*GP*C)-3', METHOXY-ETHOXYL, SPERMINE (FULLY PROTONATED FORM) | Authors: | Wilds, C.J, Maier, M.A, Tereshko, V, Manoharan, M, Egli, M. | Deposit date: | 2001-11-27 | Release date: | 2001-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Direct Observation of a Cytosine Analogue that Forms Five Hydrogen Bonds to Guanosine: Guanidino G-Clamp Angew.Chem.Int.Ed.Engl., 41, 2002
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1MA8
| A-DNA decamer GCGTA(UMS)ACGC with incorporated 2'-methylseleno-uridine | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*UMSP*AP*CP*GP*C)-3' | Authors: | Teplova, M, Wilds, C.J, Wawrzak, Z, Tereshko, V, Du, Q, Carrasco, N, Huang, Z, Egli, M. | Deposit date: | 2002-08-01 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Covalent incorporation of selenium into oligonucleotides for X-ray crystal structure determination via MAD: proof of principle BIOCHIMIE, 84, 2002
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3P4A
| 2'Fluoro modified RNA octamer fA2U2 | Descriptor: | 2'Fluoro modified RNA 8-MER, MAGNESIUM ION, STRONTIUM ION | Authors: | Manoharan, M, Akinc, A, Pandey, R.K, Qin, J, Hadwiger, P, John, M, Mills, K, Charisse, K, Maier, M.A, Nechev, L, Greene, E.M, Pallan, P.S, Rozners, E, Rajeev, K.G, Egli, M. | Deposit date: | 2010-10-06 | Release date: | 2011-01-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA. Nucleic Acids Res., 39, 2011
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1G2J
| RNA OCTAMER R(CCCP*GGGG) CONTAINING PHENYL RIBONUCLEOTIDE | Descriptor: | 5'-R(*CP*CP*CP*(PYY)P*GP*GP*GP*G)-3', CALCIUM ION | Authors: | Minasov, G, Matulic-Adamic, J, Wilds, C.J, Haeberli, P, Usman, N, Beigelman, L, Egli, M. | Deposit date: | 2000-10-20 | Release date: | 2000-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of an RNA duplex containing phenyl-ribonucleotides, hydrophobic isosteres of the natural pyrimidines. RNA, 6, 2000
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6VEM
| Structure of RNA octamer | Descriptor: | COBALT HEXAMMINE(III), Modified Octamer RNA | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2020-01-02 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Synthesis, chirality-dependent conformational and biological properties of siRNAs containing 5'-(R)- and 5'-(S)-C-methyl-guanosine. Nucleic Acids Res., 48, 2020
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1I2Y
| 1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM | Descriptor: | DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE | Authors: | Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M. | Deposit date: | 2001-02-12 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid. RNA, 7, 2001
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1I2X
| 2.4 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMIDINE FORM | Descriptor: | DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMIDINE | Authors: | Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M. | Deposit date: | 2001-02-12 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid. RNA, 7, 2001
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469D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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471D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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468D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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470D
| CRYSTAL STRUCTURE AND IMPROVED ANTISENSE PROPERTIES OF 2'-O-(2-METHOXYETHYL)-RNA | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(C43)P*(G48)P*(C43)P*(G48)P*(A44)P*(A44)P*(U36)P*(U36)P*(C43)P*(G48)P*(C43)P*(G48))-3') | Authors: | Teplova, M, Minasov, G, Tereshko, V, Inamati, G, Cook, P.D, Egli, M. | Deposit date: | 1999-04-29 | Release date: | 1999-05-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and improved antisense properties of 2'-O-(2-methoxyethyl)-RNA. Nat.Struct.Biol., 6, 1999
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2IDK
| Crystal Structure of Rat Glycine N-Methyltransferase Complexed With Folate | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Glycine N-methyltransferase | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Egli, M, Newcomer, M.E, Wagner, C. | Deposit date: | 2006-09-15 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 5-methyltetrahydrofolate is bound in intersubunit areas of rat liver folate-binding protein glycine N-methyltransferase. J.Biol.Chem., 282, 2007
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5KT2
| Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mg2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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