1K4T
 
 | | HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J. | | Deposit date: | 2001-10-08 | | Release date: | 2002-12-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
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1K4S
 | | HUMAN DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | 5'-D(*(SPT)P*GP*AP*AP*AP*AP*AP*(5IU)P*(5IU)P*(5IU)P*(5IU)P*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*(5IU)P*(5IU))-3', 5'-D(*AP*AP*AP*AP*AP*TP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*CP*AP*AP*AP*GP*(IDO)UP*CP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*T)-3', ... | | Authors: | Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J. | | Deposit date: | 2001-10-08 | | Release date: | 2002-12-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
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1LPQ
 | | Human DNA Topoisomerase I (70 Kda) In Non-Covalent Complex With A 22 Base Pair DNA Duplex Containing an 8-oxoG Lesion | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*(8OG)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*CP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', DNA topoisomerase I | | Authors: | Lesher, D.T, Pommier, Y, Stewart, L, Redinbo, M.R. | | Deposit date: | 2002-05-08 | | Release date: | 2002-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | 8-Oxoguanine rearranges the active site of human topoisomerase I
Proc.Natl.Acad.Sci.USA, 99, 2002
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1TL8
 | | Human DNA topoisomerase I (70 kDa) in complex with the indenoisoquinoline AI-III-52 and covalent complex with a 22 base pair DNA duplex | | Descriptor: | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM, 5'-D(*(TPC)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | | Authors: | Ioanoviciu, A, Antony, S, Pommier, Y, Staker, B.L, Stewart, L, Cushman, M. | | Deposit date: | 2004-06-09 | | Release date: | 2005-06-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis and Mechanism of Action Studies of a Series of Norindenoisoquinoline Topoisomerase I Poisons Reveal an Inhibitor with a Flipped Orientation in the Ternary DNA-Enzyme-Inhibitor Complex As Determined by X-ray Crystallographic Analysis
J.Med.Chem., 48, 2005
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1YUA
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6CQI
 | | 2.42A Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with an oligonucleotide MTS2-11 | | Descriptor: | ACETATE ION, DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, ... | | Authors: | Cao, N, Thirunavukkarasu, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-15 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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6CQ2
 | | Crystal structure of Mycobacterium tuberculosis Topoisomerase I in complex with oligonucleotide MTS2-12 and Magnesium | | Descriptor: | DNA (5'-D(P*TP*TP*CP*CP*GP*CP*TP*TP*GP*A)-3'), DNA topoisomerase 1, MAGNESIUM ION, ... | | Authors: | Cao, N, Thirunavukkaraus, A, Tan, K, Tse-Dinh, Y.-C. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.004 Å) | | Cite: | Investigating mycobacterial topoisomerase I mechanism from the analysis of metal and DNA substrate interactions at the active site.
Nucleic Acids Res., 46, 2018
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1VCC
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1A35
 | | HUMAN TOPOISOMERASE I/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*(BRU)P*(BRU)P*TP*TP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*+UP*+UP*+UP*+UP*CP*+UP*AP*AP*GP*TP*CP*TP*TP*TP*+ UP*T)-3'), PROTEIN (DNA TOPOISOMERASE I) | | Authors: | Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G. | | Deposit date: | 1998-01-29 | | Release date: | 1998-08-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA.
Science, 279, 1998
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1CY2
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1CY8
 | | COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'-THYMIDINE MONOPHOSPHATE AND 3'-THYMIDINE MONOPHOSPHATE | | Descriptor: | DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3'-PHOSPHATE, ... | | Authors: | Feinberg, H, Changela, A, Mondragon, A. | | Deposit date: | 1999-08-31 | | Release date: | 2000-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
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1CYY
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1A36
 | | TOPOISOMERASE I/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*A P*TP*TP*TP*TP*T)- 3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*C P*TP*TP*TP*TP*T)- 3'), TOPOISOMERASE I | | Authors: | Stewart, L, Redinbo, M.R, Qiu, X, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 1998-01-29 | | Release date: | 1998-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A model for the mechanism of human topoisomerase I.
Science, 279, 1998
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1A41
 | | TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS | | Descriptor: | SULFATE ION, TOPOISOMERASE I | | Authors: | Cheng, C, Kussie, P, Pavletich, N, Shuman, S. | | Deposit date: | 1998-02-10 | | Release date: | 1999-06-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conservation of structure and mechanism between eukaryotic topoisomerase I and site-specific recombinases.
Cell(Cambridge,Mass.), 92, 1998
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1CY7
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1CY4
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1CY6
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1CY1
 | | COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'PTPTPT | | Descriptor: | DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, ... | | Authors: | Feinberg, H, Changela, A, Mondragon, A. | | Deposit date: | 1999-08-31 | | Release date: | 2000-03-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
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1A31
 | | HUMAN RECONSTITUTED DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*5IUP*5IU*TP*GP*AP*AP*AP*AP*AP*5IUP*5IUP*5IUP*5IUP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*5IUP*5IUP*5IUP*5IUP*CP*AP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3'), PROTEIN (TOPOISOMERASE I) | | Authors: | Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G.J. | | Deposit date: | 1998-01-27 | | Release date: | 1998-08-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA.
Science, 279, 1998
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1CY9
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1CY0
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2B9S
 | | Crystal Structure of heterodimeric L. donovani topoisomerase I-vanadate-DNA complex | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', 5'-D(*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Davies, D.R, Hol, W.G.J. | | Deposit date: | 2005-10-12 | | Release date: | 2006-01-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The Structure of the Transition State of the Heterodimeric Topoisomerase I of Leishmania donovani as a Vanadate Complex with Nicked DNA.
J.Mol.Biol., 357, 2006
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3I93
 | | Crystal structure of Mycobacterium tuberculosis dUTPase STOP138T mutant | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Leveles, I, Harmat, V, Lopata, A, Toth, J, Vertessy, B.G. | | Deposit date: | 2009-07-10 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct contacts between conserved motifs of different subunits provide major contribution to active site organization in human and mycobacterial dUTPases.
Febs Lett., 584, 2010
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8CW2
 | | Crystal structure of TDP1 complexed with compound XZ760 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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8CVQ
 | | Crystal structure of TDP1 complexed with compound XZ761 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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