3E2I
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![BU of 3e2i by Molmil](/molmil-images/mine/3e2i) | Crystal structure of Thymidine Kinase from S. aureus | 分子名称: | GLYCEROL, Thymidine kinase, ZINC ION | 著者 | Lam, R, Johns, K, Battaile, K.P, Romanov, V, Lam, K, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2008-08-05 | 公開日 | 2009-08-11 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal structure of Thymidine Kinase from S. aureus To be Published
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5D8O
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![BU of 5d8o by Molmil](/molmil-images/mine/5d8o) | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | 分子名称: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | 登録日 | 2015-08-17 | 公開日 | 2015-09-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5DGJ
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![BU of 5dgj by Molmil](/molmil-images/mine/5dgj) | 1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor | 分子名称: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | 登録日 | 2015-08-27 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 59, 2016
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6E6S
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![BU of 6e6s by Molmil](/molmil-images/mine/6e6s) | 1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa | 分子名称: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | 著者 | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | 登録日 | 2018-07-25 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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6E6Q
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![BU of 6e6q by Molmil](/molmil-images/mine/6e6q) | 1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) from Pseudomonas aeruginosa | 分子名称: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | 著者 | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | 登録日 | 2018-07-25 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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6E6R
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![BU of 6e6r by Molmil](/molmil-images/mine/6e6r) | 1.50 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E mutant from Pseudomonas aeruginosa | 分子名称: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | 著者 | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | 登録日 | 2018-07-25 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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5D8Q
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![BU of 5d8q by Molmil](/molmil-images/mine/5d8q) | 2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa | 分子名称: | ARSENIC, Ferroxidase, MAGNESIUM ION, ... | 著者 | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | 登録日 | 2015-08-17 | 公開日 | 2015-09-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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5T6F
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![BU of 5t6f by Molmil](/molmil-images/mine/5t6f) | 1.90 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (orthorhombic P form) | 分子名称: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors. Eur J Med Chem, 126, 2016
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5T6G
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![BU of 5t6g by Molmil](/molmil-images/mine/5t6g) | 2.45 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7m (hexagonal form) | 分子名称: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide, Genome polyprotein | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors. Eur J Med Chem, 126, 2016
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5T6D
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![BU of 5t6d by Molmil](/molmil-images/mine/5t6d) | 2.10 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (hexagonal form) | 分子名称: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors. Eur J Med Chem, 126, 2016
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5C98
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![BU of 5c98 by Molmil](/molmil-images/mine/5c98) | 1.45A resolution structure of SRPN18 from Anopheles gambiae | 分子名称: | AGAP007691-PB | 著者 | Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K. | 登録日 | 2015-06-26 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae. Acta Crystallogr F Struct Biol Commun, 72, 2016
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2Q5R
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![BU of 2q5r by Molmil](/molmil-images/mine/2q5r) | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase | 分子名称: | Tagatose-6-phosphate kinase | 著者 | McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y. | 登録日 | 2007-06-01 | 公開日 | 2007-06-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase TO BE PUBLISHED
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5TG1
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![BU of 5tg1 by Molmil](/molmil-images/mine/5tg1) | 1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer) | 分子名称: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE, CHLORIDE ION | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-27 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease. Eur J Med Chem, 127, 2016
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5TG2
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![BU of 5tg2 by Molmil](/molmil-images/mine/5tg2) | 1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer) | 分子名称: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | 登録日 | 2016-09-27 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease. Eur J Med Chem, 127, 2016
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2O4D
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![BU of 2o4d by Molmil](/molmil-images/mine/2o4d) | Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa | 分子名称: | Hypothetical protein PA0269 | 著者 | McGrath, T.E, Battaile, K, Kisselman, G, Romanov, V, Wu-Brown, J, Virag, C, Ng, I, Kimber, M, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | 登録日 | 2006-12-04 | 公開日 | 2007-01-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa To be Published
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4MLK
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![BU of 4mlk by Molmil](/molmil-images/mine/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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4ZEG
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![BU of 4zeg by Molmil](/molmil-images/mine/4zeg) | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | 著者 | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Battaile, K, Chirgadze, N.Y. | 登録日 | 2015-04-20 | 公開日 | 2016-04-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor. To Be Published
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4LQU
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![BU of 4lqu by Molmil](/molmil-images/mine/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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5IBO
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![BU of 5ibo by Molmil](/molmil-images/mine/5ibo) | 1.95A resolution structure of NanoLuc luciferase | 分子名称: | DECANOIC ACID, Oplophorus-luciferin 2-monooxygenase catalytic subunit | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Wood, M.G, Encell, L.P, Wood, K.V. | 登録日 | 2016-02-22 | 公開日 | 2016-04-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | To be determined To be published
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6NLN
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![BU of 6nln by Molmil](/molmil-images/mine/6nln) | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | 分子名称: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NLJ
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![BU of 6nlj by Molmil](/molmil-images/mine/6nlj) | 1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12) | 分子名称: | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NLF
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![BU of 6nlf by Molmil](/molmil-images/mine/6nlf) | 1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa | 分子名称: | Ferroxidase, POTASSIUM ION | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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4LQT
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![BU of 4lqt by Molmil](/molmil-images/mine/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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6NLL
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![BU of 6nll by Molmil](/molmil-images/mine/6nll) | 1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) | 分子名称: | 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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4F49
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![BU of 4f49 by Molmil](/molmil-images/mine/4f49) | 2.25A resolution structure of Transmissible Gastroenteritis Virus Protease containing a covalently bound Dipeptidyl Inhibitor | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | 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 | 2012-05-10 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.25 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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