7QDN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qdn by Molmil](/molmil-images/mine/7qdn) | |
7QER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qer by Molmil](/molmil-images/mine/7qer) | human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4 | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-03-30 | 最終更新日 | 2022-05-18 | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qet by Molmil](/molmil-images/mine/7qet) | human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4 | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-03-30 | 最終更新日 | 2022-05-18 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qb4 by Molmil](/molmil-images/mine/7qb4) | Mus Musculus Acetylcholinesterase in complex with 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | 著者 | Ekstrom, F.J, Forsgren, N. | 登録日 | 2021-11-18 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.500011 Å) | 主引用文献 | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
|
|
7QAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qak by Molmil](/molmil-images/mine/7qak) | Mus Musculus Acetylcholinesterase in complex with 7-[(4-{[benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one | 分子名称: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, ... | 著者 | Ekstrom, F.J, Forsgren, N. | 登録日 | 2021-11-17 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.60000324 Å) | 主引用文献 | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
|
|
7QUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qub by Molmil](/molmil-images/mine/7qub) | EV-A71-3Cpro in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2022-01-17 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
|
|
7QYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qyn by Molmil](/molmil-images/mine/7qyn) | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | 著者 | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | 登録日 | 2022-01-28 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase. Chemistry, 28, 2022
|
|
7QL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ql8 by Molmil](/molmil-images/mine/7ql8) | SARS-COV2 Main Protease in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2021-12-19 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
|
|
7QB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qb1 by Molmil](/molmil-images/mine/7qb1) | PPARg in complex with inhibitor | 分子名称: | 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-6-phenoxy-phthalazine-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma, SULFATE ION | 著者 | Petersen, J. | 登録日 | 2021-11-17 | 公開日 | 2022-05-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery by Virtual Screening of an Inhibitor of CDK5-Mediated PPAR gamma Phosphorylation. Acs Med.Chem.Lett., 13, 2022
|
|
7QB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qb5 by Molmil](/molmil-images/mine/7qb5) | |
7QQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qqc by Molmil](/molmil-images/mine/7qqc) | Structure of CTX-M-15 K73A mutant | 分子名称: | Beta-lactamase, CHLORIDE ION, SULFATE ION | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-01-07 | 公開日 | 2022-05-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
|
|
7QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qq5 by Molmil](/molmil-images/mine/7qq5) | |
7QEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qeu by Molmil](/molmil-images/mine/7qeu) | human Connexin 26 at 55mmHg PCO2, pH7.4: two masked subunits, class B | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-06-15 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qeo by Molmil](/molmil-images/mine/7qeo) | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class C | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qev by Molmil](/molmil-images/mine/7qev) | human Connexin 26 at 55mm Hg PCO2, pH7.4:two masked subunits, class D | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-06-15 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qes by Molmil](/molmil-images/mine/7qes) | human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class A | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE | 著者 | Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J. | 登録日 | 2021-12-03 | 公開日 | 2022-06-15 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Conformational changes and CO 2 -induced channel gating in connexin26. Structure, 30, 2022
|
|
7QXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qxc by Molmil](/molmil-images/mine/7qxc) | |
7QXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qxe by Molmil](/molmil-images/mine/7qxe) | |
7QXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qxd by Molmil](/molmil-images/mine/7qxd) | |
7QV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qv7 by Molmil](/molmil-images/mine/7qv7) | Cryo-EM structure of Hydrogen-dependent CO2 reductase. | 分子名称: | Hydrogen dependent carbon dioxide reductase subunit FdhF, Hydrogen dependent carbon dioxide reductase subunit HycB3, Hydrogen dependent carbon dioxide reductase subunit HycB4, ... | 著者 | Dietrich, H.M, Righetto, R.D, Kumar, A, Wietrzynski, W, Schuller, S.K, Trischler, R, Wagner, J, Schwarz, F.M, Engel, B.D, Mueller, V, Schuller, J.M. | 登録日 | 2022-01-19 | 公開日 | 2022-07-06 | 最終更新日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation. Nature, 607, 2022
|
|
7QEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qei by Molmil](/molmil-images/mine/7qei) | Structure of human MTHFD2L in complex with TH7299 | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2 | 著者 | Gustafsson, R, Scaletti, E.R, Stenmark, P. | 登録日 | 2021-12-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The First Structure of Human MTHFD2L and Its Implications for the Development of Isoform-Selective Inhibitors. Chemmedchem, 17, 2022
|
|
7QSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qsx by Molmil](/molmil-images/mine/7qsx) | Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit | 著者 | Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A. | 登録日 | 2022-01-14 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Evolution of increased complexity and specificity at the dawn of form I Rubiscos. Science, 378, 2022
|
|
7QRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qrc by Molmil](/molmil-images/mine/7qrc) | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | 登録日 | 2022-01-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. Eur.J.Med.Chem., 243, 2022
|
|
7QBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | 登録日 | 2021-11-19 | 公開日 | 2022-11-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
|
|
7QBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | 分子名称: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | 登録日 | 2021-11-19 | 公開日 | 2022-11-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
|
|