4MLK
| 3.05A resolution structure of CT584 from Chlamydia trachomatis | 分子名称: | CT584 protein | 著者 | Hickey, J, Lovell, S, Kemege, K, Barta, M.L, Battaile, K.P, Hefty, P.S. | 登録日 | 2013-09-06 | 公開日 | 2013-11-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.051 Å) | 主引用文献 | Structure of CT584 from Chlamydia trachomatis refined to 3.05 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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4JBH
| 2.2A resolution structure of cobalt and zinc bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | 分子名称: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, COBALT (II) ION, ... | 著者 | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | 登録日 | 2013-02-19 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum. Plos One, 8, 2013
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8F45
| Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl dimethyl sulfane inhibitor (cyclopropyl ketoamide warhead) | 分子名称: | (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2022-11-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F46
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | 分子名称: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | 著者 | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2022-11-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F44
| Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | 分子名称: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | 著者 | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2022-11-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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5FBM
| Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | 分子名称: | DNA-binding protein HU | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | 登録日 | 2015-12-14 | 公開日 | 2016-04-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 72, 2016
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3Q8A
| Crystal structure of WT Protective Antigen (pH 5.5) | 分子名称: | CALCIUM ION, Protective antigen | 著者 | Rajapaksha, M, Lovell, S, Janowiak, B.E, Andra, K.K, Battaile, K.P, Bann, J.G. | 登録日 | 2011-01-06 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.129 Å) | 主引用文献 | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3Q8F
| Crystal structure of 2-Fluorohistine labeled Protective Antigen (pH 5.8) | 分子名称: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | 登録日 | 2011-01-06 | 公開日 | 2012-02-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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8UA2
| Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment) | 分子名称: | IODIDE ION, RL2 | 著者 | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | 登録日 | 2023-09-20 | 公開日 | 2024-02-28 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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8UA5
| Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776) | 分子名称: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | 著者 | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | 登録日 | 2023-09-20 | 公開日 | 2024-02-28 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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4LQU
| 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | 分子名称: | Green fluorescent protein | 著者 | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | 登録日 | 2013-07-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation. J.Am.Chem.Soc., 135, 2013
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3Q8C
| Crystal structure of Protective Antigen W346F (pH 5.5) | 分子名称: | CALCIUM ION, Protective antigen | 著者 | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | 登録日 | 2011-01-06 | 公開日 | 2012-02-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3Q8B
| Crystal structure of WT Protective Antigen (pH 9.0) | 分子名称: | CALCIUM ION, Protective antigen | 著者 | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | 登録日 | 2011-01-06 | 公開日 | 2012-02-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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4JBG
| 1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum | 分子名称: | Alcohol dehydrogenase (Zinc), CHLORIDE ION, PHOSPHATE ION, ... | 著者 | Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S. | 登録日 | 2013-02-19 | 公開日 | 2013-06-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum. Plos One, 8, 2013
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4LQT
| 1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant | 分子名称: | 1,2-ETHANEDIOL, Green fluorescent protein | 著者 | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | 登録日 | 2013-07-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation. J.Am.Chem.Soc., 135, 2013
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8W1E
| Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer) | 分子名称: | DPS-LIKE PROTEIN, FE (II) ION, SULFATE ION | 著者 | Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M. | 登録日 | 2024-02-15 | 公開日 | 2024-05-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity. Front Mol Biosci, 11, 2024
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3Q8E
| Crystal structure of Protective Antigen W346F (pH 8.5) | 分子名称: | CALCIUM ION, Protective antigen | 著者 | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | 登録日 | 2011-01-06 | 公開日 | 2012-02-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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3R9I
| 2.6A resolution structure of MinD complexed with MinE (12-31) peptide | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD | 著者 | Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J. | 登録日 | 2011-03-25 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis. Cell(Cambridge,Mass.), 146, 2011
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3P8A
| Crystal Structure of a hypothetical protein from Staphylococcus aureus | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Lam, R, Qiu, W, Battaile, K, Lam, K, Romanov, V, Chan, T, Pai, E, Chirgadze, N.Y. | 登録日 | 2010-10-13 | 公開日 | 2011-10-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of a hypothetical protein from Staphylococcus aureus To be Published
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4JES
| 1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form) | 分子名称: | HEXAETHYLENE GLYCOL, Hemophore HasA, MALONATE ION, ... | 著者 | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | 登録日 | 2013-02-27 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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4JET
| 2.2A resolution structure of Holo hemophore HasA from Yersinia pestis | 分子名称: | CHLORIDE ION, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kumar, R, Lovell, S, Battaile, K.P, Rivera, M. | 登録日 | 2013-02-27 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change. Biochemistry, 52, 2013
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6UXD
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6UXC
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3QH6
| 1.8A resolution structure of CT296 from Chlamydia trachomatis | 分子名称: | CT296, TETRAETHYLENE GLYCOL | 著者 | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | 登録日 | 2011-01-25 | 公開日 | 2011-10-05 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J.Bacteriol., 193, 2011
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3UR6
| 1.5A resolution structure of apo Norwalk Virus Protease | 分子名称: | 3C-like protease | 著者 | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | 登録日 | 2011-11-21 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses. J.Virol., 86, 2012
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