8VIL
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![BU of 8vil by Molmil](/molmil-images/mine/8vil) | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with N,N-dimethyl-histidine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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8VIK
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![BU of 8vik by Molmil](/molmil-images/mine/8vik) | EgtB-IV from Crocosphaera subtropica, a type IV sulfoxide synthase involved in ergothioneine biosynthesis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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8VIH
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![BU of 8vih by Molmil](/molmil-images/mine/8vih) | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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8VII
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![BU of 8vii by Molmil](/molmil-images/mine/8vii) | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine | Descriptor: | 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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8VIG
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![BU of 8vig by Molmil](/molmil-images/mine/8vig) | EgtB-IV from Geminocystis sp. isolate SKYG4, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N,N,N-trimethyl-histidine, ... | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2024-01-04 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA Structure, 2024
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3KZG
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![BU of 3kzg by Molmil](/molmil-images/mine/3kzg) | |
3LHL
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![BU of 3lhl by Molmil](/molmil-images/mine/3lhl) | Crystal structure of a putative agmatinase from Clostridium difficile | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Palani, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-01-22 | Release date: | 2010-02-23 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a putative agmatinase from Clostridium difficile To be Published
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5HK5
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![BU of 5hk5 by Molmil](/molmil-images/mine/5hk5) | |
8STT
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![BU of 8stt by Molmil](/molmil-images/mine/8stt) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient 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, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8STP
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![BU of 8stp by Molmil](/molmil-images/mine/8stp) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient 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, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8STS
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![BU of 8sts by Molmil](/molmil-images/mine/8sts) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8STV
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![BU of 8stv by Molmil](/molmil-images/mine/8stv) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | Descriptor: | 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8STQ
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![BU of 8stq by Molmil](/molmil-images/mine/8stq) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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7U5Z
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![BU of 7u5z by Molmil](/molmil-images/mine/7u5z) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353 | Descriptor: | 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2022-03-03 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 84, 2023
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8STR
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![BU of 8str by Molmil](/molmil-images/mine/8str) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Chan, A.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8STU
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![BU of 8stu by Molmil](/molmil-images/mine/8stu) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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8FBX
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![BU of 8fbx by Molmil](/molmil-images/mine/8fbx) | Selenosugar synthase SenB from Variovorax paradoxus | Descriptor: | CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2022-11-30 | Release date: | 2023-11-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis. Biochemistry, 62, 2023
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4XCV
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![BU of 4xcv by Molmil](/molmil-images/mine/4xcv) | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, NADP-dependent 2-hydroxyacid dehydrogenase, ... | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obadi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-12-18 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH to be published
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8F91
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![BU of 8f91 by Molmil](/molmil-images/mine/8f91) | |
8U6B
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![BU of 8u6b by Molmil](/molmil-images/mine/8u6b) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U69
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![BU of 8u69 by Molmil](/molmil-images/mine/8u69) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor | Descriptor: | 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6A
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![BU of 8u6a by Molmil](/molmil-images/mine/8u6a) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor | Descriptor: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6D
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![BU of 8u6d by Molmil](/molmil-images/mine/8u6d) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6C
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![BU of 8u6c by Molmil](/molmil-images/mine/8u6c) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor | Descriptor: | 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U41
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![BU of 8u41 by Molmil](/molmil-images/mine/8u41) | |