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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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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6AOG
| Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine) | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ... | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | 登録日 | 2017-08-16 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis To Be Published
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6AOH
| Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533) | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ... | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | 登録日 | 2017-08-16 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis To Be Published
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4A66
| Mutations in the neighbourhood of CotA-laccase trinuclear site: D116A mutant | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, PEROXIDE ION, ... | 著者 | Silva, C.S, Lindley, P.F, Bento, I. | 登録日 | 2011-10-31 | 公開日 | 2012-01-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism Acta Crystallogr.,Sect.D, 68, 2012
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4NA4
| Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain with ADP-HPD | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, IODIDE ION, Poly(ADP-ribose) glycohydrolase | 著者 | Wang, Z, Cheng, Z, Xu, W. | 登録日 | 2013-10-21 | 公開日 | 2014-01-29 | 最終更新日 | 2014-09-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase. Plos One, 9, 2014
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4NA0
| Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain with ADPRibose | 分子名称: | IODIDE ION, Poly(ADP-ribose) glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Wang, Z, Cheng, Z, Xu, W. | 登録日 | 2013-10-21 | 公開日 | 2014-01-29 | 最終更新日 | 2014-09-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase. Plos One, 9, 2014
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4N9Y
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4A67
| Mutations in the neighbourhood of CotA-laccase trinuclear site: D116E mutant | 分子名称: | COPPER (II) ION, PEROXIDE ION, SPORE COAT PROTEIN A | 著者 | Silva, C.S, Lindley, P.F, Bento, I. | 登録日 | 2011-10-31 | 公開日 | 2012-01-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism Acta Crystallogr.,Sect.D, 68, 2012
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4A68
| Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ... | 著者 | Silva, C.S, Lindley, P.F, Bento, I. | 登録日 | 2011-10-31 | 公開日 | 2012-01-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism Acta Crystallogr.,Sect.D, 68, 2012
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4NA6
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2O0F
| Docking of the modified RF3 X-ray structure into cryo-EM map of E.coli 70S ribosome bound with RF3 | 分子名称: | Peptide chain release factor 3 | 著者 | Gao, H, Zhou, Z, Rawat, U, Huang, C, Bouakaz, L, Wang, C, Liu, Y, Zavialov, A, Gursky, R, Sanyal, S, Ehrenberg, M, Frank, J, Song, H. | 登録日 | 2006-11-27 | 公開日 | 2007-07-24 | 最終更新日 | 2023-12-27 | 実験手法 | ELECTRON MICROSCOPY (15.5 Å) | 主引用文献 | RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors Cell(Cambridge,Mass.), 129, 2007
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4JQX
| HLA-B*44:03 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 169-180) | 分子名称: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Theodossis, A, Welland, A, Gras, S, Rossjohn, J. | 登録日 | 2013-03-20 | 公開日 | 2013-06-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | HLA Peptide Length Preferences Control CD8+ T Cell Responses. J.Immunol., 191, 2013
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4JQV
| HLA-B*18:01 in complex with Epstein-Barr virus BZLF1-derived peptide (residues 173-180) | 分子名称: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Theodossis, A, Welland, A, Gras, S, Rossjohn, J. | 登録日 | 2013-03-20 | 公開日 | 2013-06-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | HLA Peptide Length Preferences Control CD8+ T Cell Responses. J.Immunol., 191, 2013
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6CO8
| Structure of Zika virus at a resolution of 3.1 Angstrom | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein | 著者 | Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R. | 登録日 | 2018-03-12 | 公開日 | 2018-07-04 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution. Structure, 26, 2018
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6AOI
| Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (TRC-2528) | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine, ... | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | 登録日 | 2017-08-16 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis To Be Published
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4N9Z
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5JDU
| Crystal structure for human thrombin mutant D189A | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | 著者 | Pozzi, N, Chen, Z, Di Cera, E. | 登録日 | 2016-04-17 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin. Biochemistry, 55, 2016
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6K81
| Crystal structure of human VASH1-SVBP complex | 分子名称: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | 著者 | Liu, X, Wang, H, Zhang, Y, Feng, Y. | 登録日 | 2019-06-11 | 公開日 | 2020-02-19 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structural insights into tubulin detyrosination by vasohibins-SVBP complex. Cell Discov, 5, 2019
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3ZWX
| Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose | 分子名称: | ADP-RIBOSYL CYCLASE, CHLORIDE ION, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 著者 | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | 登録日 | 2011-08-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To be Published
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2OCV
| Structural basis of Na+ activation mimicry in murine thrombin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin | 著者 | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | 登録日 | 2006-12-21 | 公開日 | 2007-04-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
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3ZWW
| Crystal structure of ADP-ribosyl cyclase complexed with ara-2'F-ADP- ribose at 2.3 angstrom | 分子名称: | ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | 著者 | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | 登録日 | 2011-08-03 | 公開日 | 2011-11-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. J.Mol.Biol., 415, 2012
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