3DM2
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![BU of 3dm2 by Molmil](/molmil-images/mine/3dm2) | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. | Descriptor: | N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ren, J, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2008-06-30 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors. J.Med.Chem., 51, 2008
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1XAG
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![BU of 1xag by Molmil](/molmil-images/mine/1xag) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-25 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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1XAL
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![BU of 1xal by Molmil](/molmil-images/mine/1xal) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE (SOAK) | Descriptor: | 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ... | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-26 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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1XAH
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![BU of 1xah by Molmil](/molmil-images/mine/1xah) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+ AND NAD+ | Descriptor: | 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-25 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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1XAJ
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![BU of 1xaj by Molmil](/molmil-images/mine/1xaj) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE | Descriptor: | 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ... | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-25 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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1XAI
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![BU of 1xai by Molmil](/molmil-images/mine/1xai) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE | Descriptor: | 3-dehydroquinate synthase, ZINC ION, [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-25 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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2A0J
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![BU of 2a0j by Molmil](/molmil-images/mine/2a0j) | Crystal Structure of Nitrogen Regulatory Protein IIA-Ntr from Neisseria meningitidis | Descriptor: | PTS system, nitrogen regulatory IIA protein | Authors: | Ren, J, Sainsbury, S, Berrow, N.S, Alderton, D, Nettleship, J.E, Stammers, D.K, Saunders, N.J, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2005-06-16 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of nitrogen regulatory protein IIANtr from Neisseria meningitidis Bmc Struct.Biol., 5, 2005
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2BKA
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![BU of 2bka by Molmil](/molmil-images/mine/2bka) | CC3(TIP30)Crystal Structure | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K. | Deposit date: | 2005-02-14 | Release date: | 2005-02-21 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor J.Biol.Chem., 280, 2005
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2CCJ
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![BU of 2ccj by Molmil](/molmil-images/mine/2ccj) | Crystal structure of S. aureus thymidylate kinase complexed with thymidine monophosphate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2BZ0
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![BU of 2bz0 by Molmil](/molmil-images/mine/2bz0) | Crystal Structure of E. coli GTP cyclohydrolase II in complex with GTP analogue, GMPcPP, and Zinc | Descriptor: | GTP CYCLOHYDROLASE II, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2005-08-09 | Release date: | 2005-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | GTP Cyclohydrolase II Structure and Mechanism. J.Biol.Chem., 280, 2005
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2CCG
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![BU of 2ccg by Molmil](/molmil-images/mine/2ccg) | Crystal structure of His-tagged S. aureus thymidylate kinase complexed with thymidine monophosphate (TMP) | Descriptor: | THYMIDINE-5'-PHOSPHATE, THYMIDYLATE KINASE | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2CCK
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![BU of 2cck by Molmil](/molmil-images/mine/2cck) | CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE | Authors: | Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-01-16 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding Protein Sci., 15, 2006
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2C5U
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![BU of 2c5u by Molmil](/molmil-images/mine/2c5u) | T4 RNA Ligase (Rnl1) Crystal Structure | Descriptor: | CALCIUM ION, CHLORIDE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | Authors: | El Omari, K, Ren, J, Bird, L.E, Bona, M.K, Klarmann, G, LeGrice, S.F.J, Stammers, D.K. | Deposit date: | 2005-11-01 | Release date: | 2005-11-04 | Last modified: | 2012-09-12 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Molecular Architecture and Ligand Recognition Determinants for T4 RNA Ligase J.Biol.Chem., 281, 2006
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2BZ1
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![BU of 2bz1 by Molmil](/molmil-images/mine/2bz1) | CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II | Descriptor: | 2-AMINOETHANESULFONIC ACID, GLYCEROL, GTP CYCLOHYDROLASE II, ... | Authors: | Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2005-08-09 | Release date: | 2005-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | GTP Cyclohydrolase II Structure and Mechanism. J.Biol.Chem., 280, 2005
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1OSN
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![BU of 1osn by Molmil](/molmil-images/mine/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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2J87
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![BU of 2j87 by Molmil](/molmil-images/mine/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
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![BU of 2j0f by Molmil](/molmil-images/mine/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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2J0X
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![BU of 2j0x by Molmil](/molmil-images/mine/2j0x) | CRYSTAL STRUCTURE OF E. COLI ASPARTOKINASE III IN COMPLEX WITH LYSINE AND ASPARTATE (T-STATE) | Descriptor: | ASPARTIC ACID, LYSINE, LYSINE-SENSITIVE ASPARTOKINASE 3, ... | Authors: | Kotaka, M, Ren, J, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-08-07 | Release date: | 2006-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of R- and T-State Escherichia Coli Aspartokinase III: Mechanisms of the Allosteric Transition and Inhibition by Lysine. J.Biol.Chem., 281, 2006
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2J0W
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![BU of 2j0w by Molmil](/molmil-images/mine/2j0w) | Crystal structure of E. coli aspartokinase III in complex with aspartate and ADP (R-state) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ASPARTIC ACID, CHLORIDE ION, ... | Authors: | Kotaka, M, Ren, J, Lockyer, M, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-08-07 | Release date: | 2006-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of R- and T-State Escherichia Coli Aspartokinase III: Mechanisms of the Allosteric Transition and Inhibition by Lysine. J.Biol.Chem., 281, 2006
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2J41
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![BU of 2j41 by Molmil](/molmil-images/mine/2j41) | Crystal structure of Staphylococcus aureus guanylate monophosphate kinase | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, GUANYLATE KINASE, POTASSIUM ION, ... | Authors: | El Omari, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2006-08-24 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Staphylococcus Aureus Guanylate Monophosphate Kinase Acta Crystallogr.,Sect.F, 62, 2006
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2HNY
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![BU of 2hny by Molmil](/molmil-images/mine/2hny) | Crystal Structure of E138K 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, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-13 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2GW8
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![BU of 2gw8 by Molmil](/molmil-images/mine/2gw8) | Structure of the PII signal transduction protein of Neisseria meningitidis at 1.85 resolution | Descriptor: | PII signal transduction protein | Authors: | Nichols, C.E, Sainsbury, S, Berrow, N.S, Alderton, D, Stammers, D.K, Owens, R.J, Oxford Protein Production Facility (OPPF) | Deposit date: | 2006-05-04 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the P(II) signal transduction protein of Neisseria meningitidis at 1.85 A resolution. Acta Crystallogr.,Sect.F, 62, 2006
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2HNZ
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![BU of 2hnz by Molmil](/molmil-images/mine/2hnz) | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with PETT-2 | Descriptor: | 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA, PHOSPHATE ION, Reverse transcriptase/ribonuclease H | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-13 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2HND
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![BU of 2hnd by Molmil](/molmil-images/mine/2hnd) | Crystal Structure of K101E 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, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | Deposit date: | 2006-07-12 | Release date: | 2006-09-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138. Febs J., 273, 2006
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2OPR
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![BU of 2opr by Molmil](/molmil-images/mine/2opr) | Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. | Descriptor: | ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K. | Deposit date: | 2007-01-30 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem., 50, 2007
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