5NM5
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![BU of 5nm5 by Molmil](/molmil-images/mine/5nm5) | Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography | 分子名称: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | 登録日 | 2017-04-05 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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5NQT
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![BU of 5nqt by Molmil](/molmil-images/mine/5nqt) | Tubulin Darpin room-temperature structure determined by serial millisecond crystallography | 分子名称: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | 登録日 | 2017-04-21 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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5NM4
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![BU of 5nm4 by Molmil](/molmil-images/mine/5nm4) | A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | 著者 | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Hennig, M, Standfuss, J. | 登録日 | 2017-04-05 | 公開日 | 2017-09-27 | 最終更新日 | 2018-11-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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5NM2
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![BU of 5nm2 by Molmil](/molmil-images/mine/5nm2) | A2A Adenosine receptor cryo structure | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | 著者 | Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J. | 登録日 | 2017-04-05 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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6K55
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![BU of 6k55 by Molmil](/molmil-images/mine/6k55) | Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide | 分子名称: | Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | 著者 | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | 登録日 | 2019-05-28 | 公開日 | 2020-06-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.883 Å) | 主引用文献 | A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data To Be Published
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2P4L
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![BU of 2p4l by Molmil](/molmil-images/mine/2p4l) | Structure and sodium channel activity of an excitatory I1-superfamily conotoxin | 分子名称: | I-superfamily conotoxin r11a | 著者 | Buczek, O, Wei, D.X, Babon, J.J, Yang, X.D, Fiedler, B, Yoshikami, D, Olivera, B.M, Bulaj, G, Norton, R.S. | 登録日 | 2007-03-12 | 公開日 | 2007-09-25 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and Sodium Channel Activity of an Excitatory I(1)-Superfamily Conotoxin Biochemistry, 46, 2007
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3OWN
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![BU of 3own by Molmil](/molmil-images/mine/3own) | Potent macrocyclic renin inhibitors | 分子名称: | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ... | 著者 | Borkakoti, N, Derbyshire, D. | 登録日 | 2010-09-20 | 公開日 | 2010-12-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent macrocyclic renin inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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7CBD
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![BU of 7cbd by Molmil](/molmil-images/mine/7cbd) | Catalytic domain of Cellulomonas fimi Cel6B | 分子名称: | Exoglucanase A | 著者 | Nakamura, A, Ishiwata, D, Visootsat, A, Uchiyama, T, Mizutani, K, Kaneko, S, Murata, T, Igarashi, K, Iino, R. | 登録日 | 2020-06-12 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases. J.Biol.Chem., 295, 2020
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4DFF
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![BU of 4dff by Molmil](/molmil-images/mine/4dff) | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | 分子名称: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | 登録日 | 2012-01-23 | 公開日 | 2012-03-14 | 最終更新日 | 2012-04-04 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
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5HZH
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![BU of 5hzh by Molmil](/molmil-images/mine/5hzh) | Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain | 分子名称: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | 登録日 | 2016-02-02 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HZJ
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![BU of 5hzj by Molmil](/molmil-images/mine/5hzj) | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain | 分子名称: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | 著者 | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | 登録日 | 2016-02-02 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HZI
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![BU of 5hzi by Molmil](/molmil-images/mine/5hzi) | Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain | 分子名称: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | 著者 | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | 登録日 | 2016-02-02 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5HZK
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![BU of 5hzk by Molmil](/molmil-images/mine/5hzk) | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42 | 分子名称: | Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | 登録日 | 2016-02-02 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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5ZU2
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![BU of 5zu2 by Molmil](/molmil-images/mine/5zu2) | Effect of mutation (R554A) on FAD modification in Aspergillus oryzae RIB40formate oxidase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Mikami, B, Uchida, H, Doubayashi, D. | 登録日 | 2018-05-06 | 公開日 | 2019-05-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.441 Å) | 主引用文献 | The microenvironment surrounding FAD mediates its conversion to 8-formyl-FAD in Aspergillus oryzae RIB40 formate oxidase. J.Biochem., 166, 2019
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6KBR
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5ZU3
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![BU of 5zu3 by Molmil](/molmil-images/mine/5zu3) | Effect of mutation (R554K) on FAD modification in Aspergillus oryzae RIB40formate oxidase | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Formate oxidase, ... | 著者 | Mikami, B, Uchida, H, Doubayashi, D. | 登録日 | 2018-05-06 | 公開日 | 2019-05-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The microenvironment surrounding FAD mediates its conversion to 8-formyl-FAD in Aspergillus oryzae RIB40 formate oxidase. J.Biochem., 166, 2019
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3JRW
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![BU of 3jrw by Molmil](/molmil-images/mine/3jrw) | Phosphorylated BC domain of ACC2 | 分子名称: | Acetyl-CoA carboxylase 2 | 著者 | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | 登録日 | 2009-09-09 | 公開日 | 2010-01-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK Biochem.Biophys.Res.Commun., 391, 2010
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3JRX
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![BU of 3jrx by Molmil](/molmil-images/mine/3jrx) | Crystal structure of the BC domain of ACC2 in complex with soraphen A | 分子名称: | Acetyl-CoA carboxylase 2, SORAPHEN A | 著者 | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | 登録日 | 2009-09-09 | 公開日 | 2010-01-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK. Biochem.Biophys.Res.Commun., 391, 2010
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1Q2J
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![BU of 1q2j by Molmil](/molmil-images/mine/1q2j) | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA | 分子名称: | Mu-conotoxin SmIIIA | 著者 | Keizer, D.W, West, P.J, Lee, E.F, Olivera, B.M, Bulaj, G, Yoshikami, D, Norton, R.S. | 登録日 | 2003-07-24 | 公開日 | 2004-02-24 | 最終更新日 | 2020-06-24 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for tetrodotoxin-resistant sodium channel binding by mu-conotoxin SmIIIA. J.Biol.Chem., 278, 2003
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7XAR
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![BU of 7xar by Molmil](/molmil-images/mine/7xar) | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | 分子名称: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | 著者 | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | 登録日 | 2022-03-18 | 公開日 | 2022-11-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J.Med.Chem., 65, 2022
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4LFU
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![BU of 4lfu by Molmil](/molmil-images/mine/4lfu) | Crystal structure of Escherichia coli SdiA in the space group C2 | 分子名称: | CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL | 著者 | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | 登録日 | 2013-06-27 | 公開日 | 2014-03-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
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4LGW
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![BU of 4lgw by Molmil](/molmil-images/mine/4lgw) | Crystal structure of Escherichia coli SdiA in the space group P6522 | 分子名称: | GLYCEROL, Regulatory protein SdiA | 著者 | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | 登録日 | 2013-06-28 | 公開日 | 2014-03-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
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4P24
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![BU of 4p24 by Molmil](/molmil-images/mine/4p24) | pore forming toxin | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-hemolysin | 著者 | Sugawara, T, Yamashita, D, Tanaka, Y, Tanaka, I, Yao, M. | 登録日 | 2014-03-01 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis for pore-forming mechanism of staphylococcal alpha-hemolysin. Toxicon, 108, 2015
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4EWO
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![BU of 4ewo by Molmil](/molmil-images/mine/4ewo) | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-27 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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4EXG
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![BU of 4exg by Molmil](/molmil-images/mine/4exg) | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | 登録日 | 2012-04-30 | 公開日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
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