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PDB: 253 results

6OR7
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BU of 6or7 by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP
Descriptor: DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ...
Authors:Bertoletti, N, Chan, A.H, Anderson, K.S.
Deposit date:2019-04-29
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6OJS
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BU of 6ojs by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M.
Deposit date:2019-04-12
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
6OUN
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BU of 6oun by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)3TC-TP
Descriptor: DNA primer 20-mer, DNA template 27-mer, Lamivudine Triphosphate, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2019-05-04
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6OTZ
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BU of 6otz by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (+)FTC-TP
Descriptor: DNA Primer 20-mer, DNA template 27-mer, GLYCEROL, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2019-05-03
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.857 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6PF7
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BU of 6pf7 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)benzoic acid
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6P1I
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BU of 6p1i by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2019-05-19
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6P1X
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BU of 6p1x by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and L-ddCTP
Descriptor: DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2019-05-20
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6PFB
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BU of 6pfb by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)propanoic acid.
Descriptor: 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.089 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFA
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BU of 6pfa by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-((4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)methyl)benzoic acid.
Descriptor: 2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFI
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BU of 6pfi by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 3-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-(carboxymethyl)benzoic acid.
Descriptor: 3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF4
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BU of 6pf4 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.854 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFE
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BU of 6pfe by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.812 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFH
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BU of 6pfh by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanophenyl)acetic acid.
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.C, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF3
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BU of 6pf3 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFD
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BU of 6pfd by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.324 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF8
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BU of 6pf8 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.533 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF9
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BU of 6pf9 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid.
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF6
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BU of 6pf6 by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, Thymidylate synthase,Thymidylate synthase
Authors:Czyzyk, D.L, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFG
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BU of 6pfg by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PF5
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BU of 6pf5 by Molmil
Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
6PFF
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BU of 6pff by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid.
Descriptor: 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2019-06-21
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
1W69
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BU of 1w69 by Molmil
Crystal Structure of Mouse Ribonucleotide Reductase Subunit R2 under Reducing Conditions. A Fully Occupied Dinuclear Iron Cluster and Bound Acetate.
Descriptor: ACETIC ACID, FE (II) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN
Authors:Karlsen, S, Strand, K.R, Kolberg, M, Rohr, A.K, Gorbitz, C.H, Andersson, K.K.
Deposit date:2004-08-16
Release date:2004-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse
J.Biol.Chem., 279, 2004
1W68
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BU of 1w68 by Molmil
Crystal Structure of Mouse Ribonucleotide Reductase Subunit R2 under Oxidizing Conditions. A Fully Occupied Dinuclear Iron Cluster.
Descriptor: MU-OXO-DIIRON, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN
Authors:Karlsen, S, Strand, K.R, Kolberg, M, Rohr, A.K, Gorbitz, C.H, Andersson, K.K.
Deposit date:2004-08-16
Release date:2004-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse
J.Biol.Chem., 279, 2004
5C42
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BU of 5c42 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ...
Authors:Frey, K.M, Gray, W.T, Anderson, K.S.
Deposit date:2015-06-17
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance.
Acs Med.Chem.Lett., 6, 2015
5C25
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BU of 5c25 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 6-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-5,7-dimethyl-2-naphthonitrile (JLJ639), a Non-nucleoside Inhibitor
Descriptor: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7- dimethyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Chan, A.H, Frey, K.M, Anderson, K.S.
Deposit date:2015-06-15
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015

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