4GFN
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![BU of 4gfn by Molmil](/molmil-images/mine/4gfn) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic | 分子名称: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | 登録日 | 2012-08-03 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HZ0
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![BU of 4hz0 by Molmil](/molmil-images/mine/4hz0) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | 登録日 | 2012-11-14 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HXW
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![BU of 4hxw by Molmil](/molmil-images/mine/4hxw) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | 登録日 | 2012-11-12 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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5B8I
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![BU of 5b8i by Molmil](/molmil-images/mine/5b8i) | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | 登録日 | 2015-05-03 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6TZ8
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6TZ7
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![BU of 6tz7 by Molmil](/molmil-images/mine/6tz7) | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | 分子名称: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | 著者 | Fox III, D, Horanyi, P.S. | 登録日 | 2019-08-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6TZ6
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![BU of 6tz6 by Molmil](/molmil-images/mine/6tz6) | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | 分子名称: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | 著者 | Fox III, D, Lukacs, C.M. | 登録日 | 2019-08-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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3SRU
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![BU of 3sru by Molmil](/molmil-images/mine/3sru) | |
3SRS
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![BU of 3srs by Molmil](/molmil-images/mine/3srs) | |
3SRR
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![BU of 3srr by Molmil](/molmil-images/mine/3srr) | |
3SQY
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![BU of 3sqy by Molmil](/molmil-images/mine/3sqy) | |
3SR5
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![BU of 3sr5 by Molmil](/molmil-images/mine/3sr5) | |
3SRW
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![BU of 3srw by Molmil](/molmil-images/mine/3srw) | |
3SRQ
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![BU of 3srq by Molmil](/molmil-images/mine/3srq) | |
4LAE
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![BU of 4lae by Molmil](/molmil-images/mine/4lae) | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines | 分子名称: | 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hilgers, M.T. | 登録日 | 2013-06-19 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines. J.Med.Chem., 57, 2014
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4LEK
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![BU of 4lek by Molmil](/molmil-images/mine/4lek) | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines | 分子名称: | 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hilgers, M.T. | 登録日 | 2013-06-25 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines. J.Med.Chem., 57, 2014
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4LAG
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![BU of 4lag by Molmil](/molmil-images/mine/4lag) | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines | 分子名称: | 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hilgers, M.T. | 登録日 | 2013-06-19 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines. J.Med.Chem., 57, 2014
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4LAH
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![BU of 4lah by Molmil](/molmil-images/mine/4lah) | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines | 分子名称: | 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hilgers, M.T. | 登録日 | 2013-06-19 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines. J.Med.Chem., 57, 2014
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4GGL
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![BU of 4ggl by Molmil](/molmil-images/mine/4ggl) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | 分子名称: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | 登録日 | 2012-08-06 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4GEE
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![BU of 4gee by Molmil](/molmil-images/mine/4gee) | Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL | 著者 | Bensen, D.C, Chen, Z, Tari, L.W. | 登録日 | 2012-08-01 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HYP
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![BU of 4hyp by Molmil](/molmil-images/mine/4hyp) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | 登録日 | 2012-11-13 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HZ5
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![BU of 4hz5 by Molmil](/molmil-images/mine/4hz5) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | 分子名称: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit | 著者 | Bensen, D.C, Creighton, C.J, Tari, L.W. | 登録日 | 2012-11-14 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HY1
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![BU of 4hy1 by Molmil](/molmil-images/mine/4hy1) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one, Topoisomerase IV, subunit B | 著者 | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | 登録日 | 2012-11-12 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HXZ
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![BU of 4hxz by Molmil](/molmil-images/mine/4hxz) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, Topoisomerase IV, subunit B | 著者 | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | 登録日 | 2012-11-12 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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4HYM
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![BU of 4hym by Molmil](/molmil-images/mine/4hym) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | 分子名称: | 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, Topoisomerase IV, subunit B | 著者 | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | 登録日 | 2012-11-13 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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