3VV6
 
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | 分子名称: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2012-07-17 | | 公開日 | 2012-10-24 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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3VOB
 | | Staphylococcus aureus FtsZ with PC190723 | | 分子名称: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, CALCIUM ION, Cell division protein FtsZ, ... | | 著者 | Yamane, J, Matsui, T, Mogi, N, Yamaguchi, H, Takemoto, H, Yao, M, Tanaka, I. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | 分子名称: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2012-07-17 | | 公開日 | 2012-10-24 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | 分子名称: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | 著者 | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2012-07-17 | | 公開日 | 2012-10-24 | | 最終更新日 | 2013-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3WB5
 | | Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one | | 分子名称: | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2013-05-13 | | 公開日 | 2013-10-02 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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3WB4
 | | Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one | | 分子名称: | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | 著者 | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | 登録日 | 2013-05-13 | | 公開日 | 2013-10-02 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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3VOA
 | | Staphylococcus aureus FtsZ 12-316 GDP-form | | 分子名称: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Yamane, J, Matsui, T, Mogi, N, Yao, M, Tanaka, I. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3VO9
 | | Staphylococcus aureus FtsZ apo-form (SeMet) | | 分子名称: | Cell division protein FtsZ | | 著者 | Matsui, T, Yamane, J, Mogi, N, Yao, M, Tanaka, I. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-29 | | 最終更新日 | 2013-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.706 Å) | | 主引用文献 | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3VO8
 | | Staphylococcus aureus FtsZ GDP-form | | 分子名称: | CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Matsui, T, Mogi, N, Yao, M, Tanaka, I. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.255 Å) | | 主引用文献 | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3VPA
 | | Staphylococcus aureus FtsZ apo-form | | 分子名称: | Cell division protein FtsZ | | 著者 | Matsui, T, Yamane, J, Mogi, N, Yao, M, Tanaka, I. | | 登録日 | 2012-02-28 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | | 主引用文献 | Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
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3RXJ
 | | Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid | | 分子名称: | 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXU
 | | Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment) | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXO
 | | Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine | | 分子名称: | 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXI
 | | Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | 分子名称: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXL
 | | Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine | | 分子名称: | 1-(2,5-dimethylfuran-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXA
 | | Crystal structure of Trypsin complexed with cycloheptanamine | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXK
 | | Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXV
 | | Crystal structure of Trypsin complexed with benzamide (F05 and F03, cocktail experiment) | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXB
 | | Crystal structure of Trypsin complexed with 4-guanidinobutanoic acid | | 分子名称: | 4-carbamimidamidobutanoic acid, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXP
 | | Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine | | 分子名称: | 1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXD
 | | Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine | | 分子名称: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXM
 | | Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine | | 分子名称: | 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXH
 | | Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXF
 | | Crystal structure of Trypsin complexed with 4-aminopyridine | | 分子名称: | 4-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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3RXG
 | | Crystal structure of Trypsin complexed with 4-aminocyclohexanol | | 分子名称: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | 著者 | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | 登録日 | 2011-05-10 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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