6UJ1
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![BU of 6uj1 by Molmil](/molmil-images/mine/6uj1) | BACE2 mutant in complex with a macrocyclic compound | 分子名称: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | 登録日 | 2019-10-02 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors. Acs Chem Neurosci, 12, 2021
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4GR9
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![BU of 4gr9 by Molmil](/molmil-images/mine/4gr9) | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ... | 著者 | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | 登録日 | 2012-08-24 | 公開日 | 2013-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.291 Å) | 主引用文献 | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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4GQI
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![BU of 4gqi by Molmil](/molmil-images/mine/4gqi) | Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ... | 著者 | Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S. | 登録日 | 2012-08-23 | 公開日 | 2013-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | 主引用文献 | Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation. Bioorg.Med.Chem.Lett., 22, 2012
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4RSP
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![BU of 4rsp by Molmil](/molmil-images/mine/4rsp) | |
6BI8
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4DEL
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![BU of 4del by Molmil](/molmil-images/mine/4del) | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | 分子名称: | ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ... | 著者 | Pegan, S.D, Mesecar, A.D. | 登録日 | 2012-01-20 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
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2ALV
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![BU of 2alv by Molmil](/molmil-images/mine/2alv) | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | 分子名称: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | 著者 | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | 登録日 | 2005-08-08 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. J.Med.Chem., 48, 2005
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4FRR
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2FE8
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![BU of 2fe8 by Molmil](/molmil-images/mine/2fe8) | SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme | 分子名称: | BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ... | 著者 | Ratia, K, Santarsiero, B.D, Mesecar, A.D. | 登録日 | 2005-12-15 | 公開日 | 2006-03-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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1T5A
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![BU of 1t5a by Molmil](/molmil-images/mine/1t5a) | Human Pyruvate Kinase M2 | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | 著者 | Dombrauckas, J.D, Santarsiero, B.D, Mesecar, A.D. | 登録日 | 2004-05-03 | 公開日 | 2005-07-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for tumor pyruvate kinase M2 allosteric regulation and catalysis. Biochemistry, 44, 2005
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4XMB
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![BU of 4xmb by Molmil](/molmil-images/mine/4xmb) | Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain | 分子名称: | 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1 | 著者 | Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D. | 登録日 | 2015-01-14 | 公開日 | 2015-09-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.428 Å) | 主引用文献 | Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators. Eur.J.Med.Chem., 103, 2015
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2GZM
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![BU of 2gzm by Molmil](/molmil-images/mine/2gzm) | Crystal Structure of the Glutamate Racemase from Bacillus anthracis | 分子名称: | D-GLUTAMIC ACID, Glutamate racemase | 著者 | May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D. | 登録日 | 2006-05-11 | 公開日 | 2007-05-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design. J.Mol.Biol., 371, 2007
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3UXE
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![BU of 3uxe by Molmil](/molmil-images/mine/3uxe) | Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 | 分子名称: | 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M. | 登録日 | 2011-12-05 | 公開日 | 2012-01-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J.Med.Chem., 55, 2012
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3UXH
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![BU of 3uxh by Molmil](/molmil-images/mine/3uxh) | Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2 | 分子名称: | 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C. | 登録日 | 2011-12-05 | 公開日 | 2012-01-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J.Med.Chem., 55, 2012
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4YLU
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4YPT
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![BU of 4ypt by Molmil](/molmil-images/mine/4ypt) | X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at 2.60 Angstroms resolution | 分子名称: | GLYCEROL, Replicase polyprotein 1ab, ZINC ION | 著者 | Chen, Y, Savinov, S.N, Mielech, A.M, Cao, T, Baker, S.C, Mesecar, A.D. | 登録日 | 2015-03-13 | 公開日 | 2015-08-26 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6009 Å) | 主引用文献 | X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions. J.Biol.Chem., 290, 2015
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4M5W
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![BU of 4m5w by Molmil](/molmil-images/mine/4m5w) | Crystal structure of the USP7/HAUSP catalytic domain | 分子名称: | BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Molland, K.L, Mesecar, A.D, Zhou, Q. | 登録日 | 2013-08-08 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | 主引用文献 | A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding. Acta Crystallogr F Struct Biol Commun, 70, 2014
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2QTR
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2QX9
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![BU of 2qx9 by Molmil](/molmil-images/mine/2qx9) | Crystal Structure of Quinone Reductase II | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | 登録日 | 2007-08-10 | 公開日 | 2008-09-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QTM
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4P61
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2QIO
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2QX6
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![BU of 2qx6 by Molmil](/molmil-images/mine/2qx6) | Crystal Structure of Quinone Reductase II | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | 登録日 | 2007-08-10 | 公開日 | 2008-09-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QWX
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![BU of 2qwx by Molmil](/molmil-images/mine/2qwx) | Crystal Structure of Quinone Reductase II | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | 登録日 | 2007-08-10 | 公開日 | 2008-04-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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2QX4
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![BU of 2qx4 by Molmil](/molmil-images/mine/2qx4) | Crystal Structure of Quinone Reductase II | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | 著者 | Calamini, B, Santarsiero, B.D, Boutin, J.A, Mesecar, A.D. | 登録日 | 2007-08-10 | 公開日 | 2008-09-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2. Biochem.J., 413, 2008
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