4KN6
 
 | | Crystal structure of human hypoxanthine-guanine phosphoribosyltransferase in complex with 6-fluoro-3-hydroxy-2-pyrazinecarboxamide (T-705) ribose-5'-monophosphate | | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, Hypoxanthine-guanine phosphoribosyltransferase | | Authors: | Naesens, L, Guddat, L, Keough, D, van Kuilenburg, A.B.P, Meijer, J, Vande Voorde, J, Balzarini, J. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.728 Å) | | Cite: | Role of human hypoxanthine Guanine phosphoribosyltransferase in activation of the antiviral agent T-705 (favipiravir).
Mol.Pharmacol., 84, 2013
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1DTT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-04-02 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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1DTQ
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-03-20 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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2V54
 | | Crystal structure of vaccinia virus thymidylate kinase bound to TDP | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | | Deposit date: | 2008-10-01 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
Proc.Natl.Acad.Sci.USA, 105, 2008
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2W0S
 | | Crystal structure of vaccinia virus thymidylate kinase bound to brivudin-5'-monophosphate | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | | Deposit date: | 2008-10-08 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
Proc.Natl.Acad.Sci.USA, 105, 2008
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2J87
 | | Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design | | Descriptor: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | | Authors: | El Omari, K, Solaroli, N, Karlsson, A, Balzarini, J, Stammers, D.K. | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Vaccinia Virus Thymidine Kinase in Complex with Dttp: Insights for Drug Design.
Bmc Struct.Biol., 6, 2006
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2J0F
 | | Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design | | Descriptor: | THYMIDINE PHOSPHORYLASE, THYMINE | | Authors: | El Omari, K, Bronckaers, A, Liekens, S, Perez-Perez, M.J, Balzarini, J, Stammers, D.K. | | Deposit date: | 2006-08-02 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for Non-Competitive Product Inhibition in Human Thymidine Phosphorylase: Implications for Drug Design.
Biochem.J., 399, 2006
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1OSN
 | | Crystal structure of Varicella zoster virus thymidine kinase in complex with BVDU-MP and ADP | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Thymidine kinase | | Authors: | Bird, L.E, Ren, J, Wright, A, Leslie, K.D, Degreve, B, Balzarini, J, Stammers, D.K. | | Deposit date: | 2003-03-20 | | Release date: | 2003-06-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of varicella zoster virus thymidine kinase
J.Biol.Chem., 278, 2003
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1Q91
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor DPB-T | | Descriptor: | (S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-B-D-THREO-PENTOFURANOSYL]THYMINE, 5(3)-deoxyribonucleotidase, MAGNESIUM ION, ... | | Authors: | Rinaldo-Matthis, A, Rampazzo, C, Balzarini, J, Reichard, P, Bianchi, V, Nordlund, P. | | Deposit date: | 2003-08-22 | | Release date: | 2004-04-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the mitochondrial deoxyribonucleotidase in complex with two specific inhibitors
Mol.Pharmacol., 65, 2004
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1Q92
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor PMcP-U | | Descriptor: | 5(3)-deoxyribonucleotidase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rinaldo-Matthis, A, Rampazzo, C, Balzarini, J, Reichard, P, Bianchi, V, Nordlund, P. | | Deposit date: | 2003-08-22 | | Release date: | 2004-04-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structures of the mitochondrial deoxyribonucleotidase in complex with two specific inhibitors
Mol.Pharmacol., 65, 2004
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4R5P
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor | | Descriptor: | 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ... | | Authors: | Das, K, Martinez, S.E, Arnold, E. | | Deposit date: | 2014-08-21 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2XX3
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4AQL
 | | HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR | | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION | | Authors: | Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P. | | Deposit date: | 2012-04-18 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism.
Plos One, 7, 2012
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1FKO
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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1FK9
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-09 | | Release date: | 2000-11-03 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
STRUCTURE FOLD.DES., 8, 2000
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1FKP
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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1EP4
 | | Crystal structure of HIV-1 reverse transcriptase in complex with S-1153 | | Descriptor: | 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Nichols, C, Bird, L.E, Fujiwara, T, Suginoto, H, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-03-27 | | Release date: | 2000-09-27 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.
J.Biol.Chem., 275, 2000
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1LWC
 | | CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1LW2
 | | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91 | | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-30 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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5I3U
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1LWF
 | | CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1LW0
 | | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-30 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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3QO9
 | | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI) | | Descriptor: | 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2011-02-09 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket.
J.Med.Chem., 54, 2011
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1JKH
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-12 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JLG
 | | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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