3HAH
 
 | | Crystal structure of human PACSIN1 F-BAR domain (C2 lattice) | | Descriptor: | CALCIUM ION, human PACSIN1 F-BAR | | Authors: | Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H. | | Deposit date: | 2009-05-01 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3HAI
 | | Crystal structure of human PACSIN1 F-BAR domain (P21 lattice) | | Descriptor: | CALCIUM ION, human PACSIN1 F-BAR | | Authors: | Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H. | | Deposit date: | 2009-05-01 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.881 Å) | | Cite: | Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6KBL
 | | Structure-function study of AKR4C14, an aldo-keto reductase from Thai Jasmine rice (Oryza sativa L. ssp. Indica cv. KDML105) | | Descriptor: | ACETATE ION, Aldo-keto reductase, CACODYLATE ION, ... | | Authors: | Songsiriritthigul, C, Narawongsanont, R, Guan, H.H, Chen, C.J. | | Deposit date: | 2019-06-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function study of AKR4C14, an aldo-keto reductase from Thai jasmine rice (Oryza sativa L. ssp. indica cv. KDML105).
Acta Crystallogr D Struct Biol, 76, 2020
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3H7U
 | | Crystal structure of the plant stress-response enzyme AKR4C9 | | Descriptor: | ACETATE ION, Aldo-keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | | Deposit date: | 2009-04-28 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
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3H7R
 | | Crystal structure of the plant stress-response enzyme AKR4C8 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase, ... | | Authors: | White, S.A, Simpson, P.J, Ride, J.P. | | Deposit date: | 2009-04-28 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characterization of two novel aldo-keto reductases from Arabidopsis: expression patterns, broad substrate specificity, and an open active-site structure suggest a role in toxicant metabolism following stress.
J.Mol.Biol., 392, 2009
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8TA8
 | | Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | | Descriptor: | DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(NT)*(NT))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-26 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TAM
 | | Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6) | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-27 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TBO
 | | Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TAQ
 | | Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-27 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TBD
 | | Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-28 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8T80
 | | Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-21 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8T7B
 | | Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-20 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TC2
 | | Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TC4
 | | Sequence specific (TGTCA) orientation of ImPyPy molecules at a unique minor groove binding site within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*TP*CP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TAP
 | | Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-27 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TB8
 | | Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-28 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TAJ
 | | Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-27 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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8TC6
 | | Sequence specific (AATT and TGTCA) orientation of netropsin and ImPyPy molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) | | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C*(NT))-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3'), ... | | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals.
J.Am.Chem.Soc., 145, 2023
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7XLB
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3BGR
 | | Crystal structure of K103N/Y181C mutant 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: | 2007-11-27 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 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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2ZE2
 | | Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor | | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | Deposit date: | 2007-12-05 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 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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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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1S6P
 | | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2004-01-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
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1S9E
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385 | | Descriptor: | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], POL polyprotein [Contains:Reverse transcriptase] | | Authors: | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | | Deposit date: | 2004-02-04 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
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1S9G
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394. | | Descriptor: | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase] | | Authors: | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | | Deposit date: | 2004-02-04 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
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