6AJG
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![BU of 6ajg by Molmil](/molmil-images/mine/6ajg) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6AJJ
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![BU of 6ajj by Molmil](/molmil-images/mine/6ajj) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | 著者 | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | 登録日 | 2018-08-27 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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4R91
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![BU of 4r91 by Molmil](/molmil-images/mine/4r91) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Caldwell, J.P, Strickland, C. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R8Y
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![BU of 4r8y by Molmil](/molmil-images/mine/4r8y) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Caldwell, J.P, Strickland, C. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R93
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![BU of 4r93 by Molmil](/molmil-images/mine/4r93) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium | 分子名称: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Strickland, C, Caldwell, J.P. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R95
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![BU of 4r95 by Molmil](/molmil-images/mine/4r95) | BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium | 分子名称: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Orth, P, Strickland, C, Caldwell, J.P. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R92
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![BU of 4r92 by Molmil](/molmil-images/mine/4r92) | BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | 著者 | Orth, P, Strickland, C, Caldwell, J.P. | 登録日 | 2014-09-03 | 公開日 | 2014-11-05 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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7BUY
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![BU of 7buy by Molmil](/molmil-images/mine/7buy) | The crystal structure of COVID-19 main protease in complex with carmofur | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | 著者 | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | 登録日 | 2020-04-08 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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5H19
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![BU of 5h19 by Molmil](/molmil-images/mine/5h19) | EED in complex with PRC2 allosteric inhibitor EED162 | 分子名称: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | 登録日 | 2016-10-08 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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7BPB
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![BU of 7bpb by Molmil](/molmil-images/mine/7bpb) | |
7BP8
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![BU of 7bp8 by Molmil](/molmil-images/mine/7bp8) | Human AAA+ ATPase VCP mutant - T76A, ADP-bound form | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Yang, C, Zhang, H. | 登録日 | 2020-03-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7BP9
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![BU of 7bp9 by Molmil](/molmil-images/mine/7bp9) | Human AAA+ ATPase VCP mutant - T76E, ADP-bound form | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | 著者 | Yang, C, Zhang, H. | 登録日 | 2020-03-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7BPA
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![BU of 7bpa by Molmil](/molmil-images/mine/7bpa) | |
3LPI
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![BU of 3lpi by Molmil](/molmil-images/mine/3lpi) | Structure of BACE Bound to SCH745132 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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3LNK
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![BU of 3lnk by Molmil](/molmil-images/mine/3lnk) | Structure of BACE bound to SCH743813 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Orth, P, Cumming, J. | 登録日 | 2010-02-02 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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3LPJ
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![BU of 3lpj by Molmil](/molmil-images/mine/3lpj) | Structure of BACE Bound to SCH743641 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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6A2B
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![BU of 6a2b by Molmil](/molmil-images/mine/6a2b) | Crystal Structure of Xenopus laevis MHC I complex | 分子名称: | Beta-2-microglobulin, MHC class I antigen, TYR-MET-MET-PRO-ARG-HIS-TRP-PRO-ILE | 著者 | Ma, L.Z, Xia, C. | 登録日 | 2018-06-10 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A Glimpse of the Peptide Profile Presentation byXenopus laevisMHC Class I: Crystal Structure of pXela-UAA Reveals a Distinct Peptide-Binding Groove. J Immunol., 204, 2020
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4HA5
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![BU of 4ha5 by Molmil](/molmil-images/mine/4ha5) | Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-25 | 公開日 | 2012-10-17 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3F
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![BU of 4h3f by Molmil](/molmil-images/mine/4h3f) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3G
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![BU of 4h3g by Molmil](/molmil-images/mine/4h3g) | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | 分子名称: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H1E
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![BU of 4h1e by Molmil](/molmil-images/mine/4h1e) | |
4H3J
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![BU of 4h3j by Molmil](/molmil-images/mine/4h3j) | Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | 分子名称: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-10-17 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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4H3I
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![BU of 4h3i by Molmil](/molmil-images/mine/4h3i) | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | 著者 | Strickland, C, Mandal, M. | 登録日 | 2012-09-13 | 公開日 | 2012-11-07 | 最終更新日 | 2012-11-21 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
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3LPK
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![BU of 3lpk by Molmil](/molmil-images/mine/3lpk) | Structure of BACE Bound to SCH747123 | 分子名称: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2010-02-05 | 公開日 | 2010-04-14 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
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4TW0
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![BU of 4tw0 by Molmil](/molmil-images/mine/4tw0) | Crystal Structure of SCARB2 in Acidic Condition (pH4.8) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Dang, M.H, Wang, X.X, Rao, Z.H. | 登録日 | 2014-06-29 | 公開日 | 2015-07-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.648 Å) | 主引用文献 | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71 Protein Cell, 5, 2014
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