4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-08-10 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M6Q
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![BU of 4m6q by Molmil](/molmil-images/mine/4m6q) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-08-10 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVD
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![BU of 4lvd by Molmil](/molmil-images/mine/4lvd) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVB
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![BU of 4lvb by Molmil](/molmil-images/mine/4lvb) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6SEQ
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![BU of 6seq by Molmil](/molmil-images/mine/6seq) | Lemur tyrosine kinase 3 (LMTK3) | 分子名称: | Serine/threonine-protein kinase LMTK3 | 著者 | Roe, S.M, Owen, R. | 登録日 | 2019-07-30 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The structure-function relationship of oncogenic LMTK3. Sci Adv, 6, 2020
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4LV9
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![BU of 4lv9 by Molmil](/molmil-images/mine/4lv9) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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5V6J
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![BU of 5v6j by Molmil](/molmil-images/mine/5v6j) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3 | 著者 | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | 登録日 | 2017-03-16 | 公開日 | 2017-08-16 | 最終更新日 | 2017-09-06 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V6I
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![BU of 5v6i by Molmil](/molmil-images/mine/5v6i) | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ... | 著者 | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | 登録日 | 2017-03-16 | 公開日 | 2017-08-16 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4K6H
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![BU of 4k6h by Molmil](/molmil-images/mine/4k6h) | Crystal structure of CALB mutant L278M from Candida antarctica | 分子名称: | 1,2-ETHANEDIOL, Lipase B | 著者 | An, J, Xie, Y, Feng, Y, Wu, G. | 登録日 | 2013-04-15 | 公開日 | 2014-01-29 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enhanced enzyme kinetic stability by increasing rigidity within the active site. J.Biol.Chem., 289, 2014
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4K5Q
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4K6K
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![BU of 4k6k by Molmil](/molmil-images/mine/4k6k) | Crystal structure of CALB mutant D223G from Candida antarctica | 分子名称: | 1,2-ETHANEDIOL, Lipase B | 著者 | An, J, Xie, Y, Feng, Y, Wu, G. | 登録日 | 2013-04-16 | 公開日 | 2014-01-29 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enhanced enzyme kinetic stability by increasing rigidity within the active site. J.Biol.Chem., 289, 2014
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4K6G
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![BU of 4k6g by Molmil](/molmil-images/mine/4k6g) | Crystal structure of CALB from Candida antarctica | 分子名称: | 1,2-ETHANEDIOL, Lipase B | 著者 | An, J, Xie, Y, Feng, Y, Wu, G. | 登録日 | 2013-04-15 | 公開日 | 2014-01-29 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Enhanced enzyme kinetic stability by increasing rigidity within the active site. J.Biol.Chem., 289, 2014
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5BPP
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![BU of 5bpp by Molmil](/molmil-images/mine/5bpp) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ | 分子名称: | 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ... | 著者 | Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q. | 登録日 | 2015-05-28 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H Sci Rep, 6, 2016
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5QCS
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![BU of 5qcs by Molmil](/molmil-images/mine/5qcs) | Crystal structure of BACE complex with BMC024 | 分子名称: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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1XM8
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![BU of 1xm8 by Molmil](/molmil-images/mine/1xm8) | X-RAY STRUCTURE OF GLYOXALASE II FROM ARABIDOPSIS THALIANA GENE AT2G31350 | 分子名称: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | 著者 | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | 登録日 | 2004-10-01 | 公開日 | 2004-10-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural studies on a mitochondrial glyoxalase II. J.Biol.Chem., 280, 2005
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5QD4
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![BU of 5qd4 by Molmil](/molmil-images/mine/5qd4) | Crystal structure of BACE complex with BMC023 | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5U3P
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![BU of 5u3p by Molmil](/molmil-images/mine/5u3p) | Crystal Structure of DH511.4 Fab | 分子名称: | DH511.4 Fab Heavy Chain, DH511.4 Fab Light Chain | 著者 | Nicely, N.I, Williams, L.D, Ofek, G, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3J
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![BU of 5u3j by Molmil](/molmil-images/mine/5u3j) | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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4FHA
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![BU of 4fha by Molmil](/molmil-images/mine/4fha) | Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine | 分子名称: | Dihydrodipicolinate synthase, LYSINE, SODIUM ION | 著者 | Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A. | 登録日 | 2012-06-06 | 公開日 | 2013-09-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae To be Published
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5U3K
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![BU of 5u3k by Molmil](/molmil-images/mine/5u3k) | Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide | 分子名称: | CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ... | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.637 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3O
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![BU of 5u3o by Molmil](/molmil-images/mine/5u3o) | Crystal Structure of DH511.2_K3 Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.2_K3 Fab Heavy Chain, DH511.2_K3 Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.761 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3N
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![BU of 5u3n by Molmil](/molmil-images/mine/5u3n) | Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide | 分子名称: | DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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5U3L
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![BU of 5u3l by Molmil](/molmil-images/mine/5u3l) | Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 670-683 Peptide | 分子名称: | DH511.2 Fab Heavy Chain, DH511.2 Fab Light Chain, gp41 MPER peptide | 著者 | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | 登録日 | 2016-12-02 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.165 Å) | 主引用文献 | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
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