8HCY
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![BU of 8hcy by Molmil](/molmil-images/mine/8hcy) | Legionella glycosyltransferase | 分子名称: | Dot/Icm secretion system substrate | 著者 | Chen, T.T, Ouyang, S.Y. | 登録日 | 2022-11-03 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structural Basis for the Action Mechanism of Legionella Glycosyltransferase. Small Struct, 2023
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8J9B
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![BU of 8j9b by Molmil](/molmil-images/mine/8j9b) | LnaB-actin binary complex | 分子名称: | Actin gamma 1, Type IV secretion protein Dot | 著者 | Chen, T.T, Ouyang, S.Y. | 登録日 | 2023-05-03 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | 主引用文献 | Structure of Legionella effector LnaB-actin binary complex To Be Published
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5HQ7
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![BU of 5hq7 by Molmil](/molmil-images/mine/5hq7) | |
5HQ5
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![BU of 5hq5 by Molmil](/molmil-images/mine/5hq5) | |
5HQ6
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![BU of 5hq6 by Molmil](/molmil-images/mine/5hq6) | |
7EW8
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![BU of 7ew8 by Molmil](/molmil-images/mine/7ew8) | Legionella pneumophila effector AnkD | 分子名称: | ANK_REP_REGION domain-containing protein | 著者 | Chen, T.T, Lin, Y.L. | 登録日 | 2021-05-24 | 公開日 | 2022-06-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | 主引用文献 | Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet. Sci Adv, 8, 2022
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7WX6
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![BU of 7wx6 by Molmil](/molmil-images/mine/7wx6) | A Legionella acetyltransferase VipF | 分子名称: | CHLORAMPHENICOL, COENZYME A, N-acetyltransferase | 著者 | Chen, T.T, Lin, Y.L, Chen, Z, Han, A.D. | 登録日 | 2022-02-14 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.273 Å) | 主引用文献 | Structural basis for the acetylation mechanism of the Legionella effector VipF. Acta Crystallogr D Struct Biol, 78, 2022
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7XGV
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![BU of 7xgv by Molmil](/molmil-images/mine/7xgv) | |
7WX7
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![BU of 7wx7 by Molmil](/molmil-images/mine/7wx7) | complex of a legionella acetyltransferase VipF and COA/ACO | 分子名称: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | 著者 | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | 登録日 | 2022-02-14 | 公開日 | 2023-02-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.781 Å) | 主引用文献 | Structural basis for the acetylation mechanism of the Legionella effector VipF. Acta Crystallogr D Struct Biol, 78, 2022
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7WX5
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![BU of 7wx5 by Molmil](/molmil-images/mine/7wx5) | a Legionella acetyltransferase effector VipF | 分子名称: | ACETYL COENZYME *A, N-acetyltransferase | 著者 | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | 登録日 | 2022-02-14 | 公開日 | 2023-02-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.392 Å) | 主引用文献 | Structural basis for the acetylation mechanism of the Legionella effector VipF. Acta Crystallogr D Struct Biol, 78, 2022
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7XGX
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![BU of 7xgx by Molmil](/molmil-images/mine/7xgx) | Glucosyltransferase | 分子名称: | Lgt2, URIDINE-5'-DIPHOSPHATE-GLUCOSE | 著者 | Chen, T.T, Ouyang, S.Y. | 登録日 | 2022-04-07 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structural Basis for the Action Mechanism of Legionella Glycosyltransferase. Small Struct, 2023
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7XQL
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![BU of 7xql by Molmil](/molmil-images/mine/7xql) | complex structure of LegA15 with GNP | 分子名称: | Ankyrin repeat-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | 著者 | Chen, T.T, Lin, Y.L. | 登録日 | 2022-05-07 | 公開日 | 2023-05-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.272 Å) | 主引用文献 | Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet. Sci Adv, 8, 2022
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4FCO
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![BU of 4fco by Molmil](/molmil-images/mine/4fco) | Crystal structure of bace1 with its inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, SULFATE ION, ... | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2012-05-25 | 公開日 | 2013-05-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations To be Published, 2012
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3SHZ
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![BU of 3shz by Molmil](/molmil-images/mine/3shz) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | 分子名称: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | 登録日 | 2011-06-17 | 公開日 | 2011-08-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SHY
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![BU of 3shy by Molmil](/molmil-images/mine/3shy) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | 分子名称: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Chen, T.T, Chen, T, Xu, Y.C. | 登録日 | 2011-06-17 | 公開日 | 2011-08-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.647 Å) | 主引用文献 | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | |
3UQP
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![BU of 3uqp by Molmil](/molmil-images/mine/3uqp) | Crystal structure of Bace1 with its inhibitor | 分子名称: | Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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3UQX
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![BU of 3uqx by Molmil](/molmil-images/mine/3uqx) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... | 著者 | Chen, T.T, Chen, W.Y, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
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3UQR
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![BU of 3uqr by Molmil](/molmil-images/mine/3uqr) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.056 Å) | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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3UQW
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![BU of 3uqw by Molmil](/molmil-images/mine/3uqw) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, SULFATE ION, ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate | 著者 | Chen, T.T, Chen, W.Y, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
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3UQU
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![BU of 3uqu by Molmil](/molmil-images/mine/3uqu) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... | 著者 | Chen, T.T, Chen, W.Y, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
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4IVT
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![BU of 4ivt by Molmil](/molmil-images/mine/4ivt) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(1H-indol-1-yl)acetamide, SULFATE ION | 著者 | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | 登録日 | 2013-01-23 | 公開日 | 2013-11-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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4IVS
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![BU of 4ivs by Molmil](/molmil-images/mine/4ivs) | Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide | 著者 | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | 登録日 | 2013-01-23 | 公開日 | 2013-11-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.636 Å) | 主引用文献 | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors Molecules, 18, 2013
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3TPJ
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![BU of 3tpj by Molmil](/molmil-images/mine/3tpj) | APO structure of BACE1 | 分子名称: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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3TPL
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![BU of 3tpl by Molmil](/molmil-images/mine/3tpl) | APO Structure of BACE1 | 分子名称: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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