5HHJ
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5HHK
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7UYP
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4G1Q
| Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2012-07-11 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase. Nat Chem, 5, 2013
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5IRF
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6MIH
| Crystal structure of host-guest complex with PC hachimoji DNA | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3'), DNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase | Authors: | Georgiadis, M.M. | Deposit date: | 2018-09-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hachimoji DNA and RNA: A genetic system with eight building blocks. Science, 363, 2019
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8BGJ
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7UYN
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7UYO
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8CS0
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4XPC
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6B1R
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4XO0
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6MIG
| Crystal structure of host-guest complex with PB hachimoji DNA | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), Gag-Pol polyprotein | Authors: | Georgiadis, M.M. | Deposit date: | 2018-09-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hachimoji DNA and RNA: A genetic system with eight building blocks. Science, 363, 2019
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6MIK
| Crystal structure of host-guest complex with PP hachimoji DNA | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase | Authors: | Georgiadis, M.M. | Deposit date: | 2018-09-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hachimoji DNA and RNA: A genetic system with eight building blocks. Science, 363, 2019
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4M95
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5VBS
| Structural basis for a six letter alphabet including GATCKX | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*TP*(DX)P*(DX)P*T)-3'), DNA (5'-D(P*AP*(93D)P*(93D)P*AP*TP*AP*AP*G)-3'), reverse transcriptase catalytic fragment | Authors: | Singh, I, Georgiadis, M.M. | Deposit date: | 2017-03-30 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K). ACS Synth Biol, 6, 2017
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3FSI
| Crystal structure of a trypanocidal 4,4'-Bis(imidazolinylamino)diphenylamine bound to DNA | Descriptor: | 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ACETATE ION, ... | Authors: | Glass, L.S, Georgiadis, M.M, Goodwin, K.D. | Deposit date: | 2009-01-09 | Release date: | 2009-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA. Biochemistry, 48, 2009
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4XPE
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8DXJ
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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8DXH
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroquinazolin-4-ol at W266 site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-fluoranyl-3,4-dihydroquinazolin-4-ol, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
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6AOC
| Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-08-15 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H. Eur J Med Chem, 141, 2017
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4ICL
| HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | Descriptor: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Bauman, J.D, Patel, D, Arnold, E. | Deposit date: | 2012-12-10 | Release date: | 2013-02-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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2ZD1
| Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-11-16 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1MML
| MECHANISTIC IMPLICATIONS FROM THE STRUCTURE OF A CATALYTIC FRAGMENT OF MMLV REVERSE TRANSCRIPTASE | Descriptor: | MMLV REVERSE TRANSCRIPTASE | Authors: | Georgiadis, M.M, Jessen, S.M, Ogata, C.M, Telesnitsky, A, Goff, S.P, Hendrickson, W.A. | Deposit date: | 1995-07-18 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanistic implications from the structure of a catalytic fragment of Moloney murine leukemia virus reverse transcriptase. Structure, 3, 1995
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