7RFU
 
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFW
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (1.729 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFS
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2021-07-14 | | 公開日 | 2021-11-10 | | 最終更新日 | 2022-01-05 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7SGR
 | | Structure of hemolysin A secretion system HlyB/D complex | | 分子名称: | Alpha-hemolysin translocation ATP-binding protein HlyB, Membrane fusion protein (MFP) family protein,Hemolysin secretion protein D, chromosomal, ... | | 著者 | Zhao, H, Chen, J. | | 登録日 | 2021-10-07 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | The hemolysin A secretion system is a multi-engine pump containing three ABC transporters.
Cell, 185, 2022
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8SR7
 | | Cryo-EM structure of TRPM2 chanzyme in the presence of Magnesium, Adenosine monophosphate, and Ribose-5-phosphate | | 分子名称: | 5-O-phosphono-beta-D-ribofuranose, ADENOSINE MONOPHOSPHATE, CHOLESTEROL, ... | | 著者 | Huang, Y, Kumar, S, Lu, W, Du, J. | | 登録日 | 2023-05-05 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (1.97 Å) | | 主引用文献 | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution.
Nat.Struct.Mol.Biol., 2024
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8SRB
 | | Cryo-EM structure of TRPM2 chanzyme in the presence of EDTA and ADP-ribose | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, CHOLESTEROL, TRPM2 chanzyme | | 著者 | Huang, Y, Kumar, S, Lu, W, Du, J. | | 登録日 | 2023-05-05 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution.
Nat.Struct.Mol.Biol., 2024
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6NZ4
 | | YcjX-GDP (type I) | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, YcjX Stress Protein | | 著者 | Lee, S, Tsai, J, Tsai, F.T. | | 登録日 | 2019-02-12 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
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4TN5
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6WKT
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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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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
 | | 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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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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7CC7
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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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2F23
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8HNS
 | | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | | 分子名称: | GLYCEROL, anti-CRISPR protein AcrIIC4 | | 著者 | Sun, W, Cheng, Z, Yang, J, Wang, Y. | | 登録日 | 2022-12-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8HNV
 | | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | | 分子名称: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | | 著者 | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | | 登録日 | 2022-12-08 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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2Z64
 | | Crystal structure of mouse TLR4 and mouse MD-2 complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte antigen 96, ... | | 著者 | Lee, J.-O, Kim, H.M, Park, B.S. | | 登録日 | 2007-07-22 | | 公開日 | 2007-09-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
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5Y5U
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2Z62
 | | Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61 | | 分子名称: | 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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 4, ... | | 著者 | Lee, J.-O, Kim, H.M, Park, B.S. | | 登録日 | 2007-07-22 | | 公開日 | 2007-09-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
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2ZN7
 | | CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes | | 分子名称: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Xu, W, Wu, J. | | 登録日 | 2008-04-22 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
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5Y5T
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8DCK
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7LVT
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