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
| 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
| 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
| 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
| 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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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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4J4J
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4LZL
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6SAR
| E coli BepA/YfgC | 分子名称: | Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION | 著者 | Lovering, A.L, Cadby, I.T. | 登録日 | 2019-07-17 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA. J.Bacteriol., 203, 2020
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6SUA
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7A04
| Structure of human CKa1 in complex with compound b | 分子名称: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | 登録日 | 2020-08-06 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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7A06
| Structure of human CKa1 in complex with compound o | 分子名称: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | 著者 | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | 登録日 | 2020-08-06 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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6UB3
| Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) with laminaribiose at the surface-binding site | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SULFATE ION, ... | 著者 | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAV
| Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) | 分子名称: | GLYCEROL, Glyco_hydro_cc domain-containing protein, SULFATE ION | 著者 | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB1
| Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -3 and -2 subsites | 分子名称: | GLYCOSIDE HYDROLASE, beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAR
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose | 分子名称: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAU
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose and laminaribiose | 分子名称: | DI(HYDROXYETHYL)ETHER, Glyco_hydro_cc domain-containing protein, ZINC ION, ... | 著者 | Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB0
| Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -2 and -1 subsites | 分子名称: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | 著者 | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UBB
| Crystal structure of a GH128 (subgroup VI) exo-beta-1,3-glucanase from Aureobasidium namibiae (AnGH128_VI) with laminaribiose at the surface-binding site | 分子名称: | Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Santos, C.R, Vieira, P.S, Domingues, M.N, Cordeiro, R.L, Tomazini, A, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB7
| Crystal structure of a GH128 (subgroup V) exo-beta-1,3-glucanase from Cryptococcus neoformans (CnGH128_V) | 分子名称: | Glyco_hydro_cc domain-containing protein, POTASSIUM ION | 著者 | Santos, C.R, Costa, P.A.C.R, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAQ
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase from Amycolatopsis mediterranei (AmGH128_I) | 分子名称: | GLYCEROL, Glyco_hydro_cc domain-containing protein, SODIUM ION | 著者 | Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAW
| Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) in complex with laminaritriose | 分子名称: | Glyco_hydro_cc domain-containing protein, SULFATE ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB2
| Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Endo-beta-1,3-glucanase, ... | 著者 | Santos, C.R, Lima, E.A, Mandelli, F, Vieira, P.S, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2020-08-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAT
| Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose | 分子名称: | Glyco_hydro_cc domain-containing protein, ZINC ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | 著者 | Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UAY
| Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) | 分子名称: | GLYCOSIDE HYDROLASE | 著者 | Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T. | 登録日 | 2019-09-11 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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