7TN1
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![BU of 7tn1 by Molmil](/molmil-images/mine/7tn1) | Multistate design to stabilize viral class I fusion proteins | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | 著者 | Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E. | 登録日 | 2022-01-20 | 公開日 | 2023-07-12 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A general computational design strategy for stabilizing viral class I fusion proteins. Nat Commun, 15, 2024
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7TUR
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![BU of 7tur by Molmil](/molmil-images/mine/7tur) | Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | 登録日 | 2022-02-03 | 公開日 | 2022-09-28 | 最終更新日 | 2023-10-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction. Chem Sci, 13, 2022
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7TT8
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![BU of 7tt8 by Molmil](/molmil-images/mine/7tt8) | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | 著者 | Cato, M.L, Ortlund, E.A. | 登録日 | 2022-01-31 | 公開日 | 2022-05-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket. J.Med.Chem., 65, 2022
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7UK2
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![BU of 7uk2 by Molmil](/molmil-images/mine/7uk2) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390 | 分子名称: | Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ... | 著者 | Erdogan, F, Seo, H.-S, Dhe-Paganon, S. | 登録日 | 2022-03-31 | 公開日 | 2022-11-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma. Pharmaceuticals, 15, 2022
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7UPH
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![BU of 7uph by Molmil](/molmil-images/mine/7uph) | Structure of a ribosome with tethered subunits | 分子名称: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | 著者 | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | 登録日 | 2022-04-15 | 公開日 | 2022-08-17 | 最終更新日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (4.18 Å) | 主引用文献 | Three-dimensional structure-guided evolution of a ribosome with tethered subunits. Nat.Chem.Biol., 18, 2022
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7Q6E
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![BU of 7q6e by Molmil](/molmil-images/mine/7q6e) | Beta049 fab in complex with SARS-CoV2 beta-Spike glycoprotein, The Beta mAb response underscores the antigenic distance to other SARS-CoV-2 variants | 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, Beta-49 heavy chain, ... | 著者 | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | 登録日 | 2021-11-07 | 公開日 | 2021-12-15 | 最終更新日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7A9I
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![BU of 7a9i by Molmil](/molmil-images/mine/7a9i) | |
7A9J
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7AYG
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![BU of 7ayg by Molmil](/molmil-images/mine/7ayg) | oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | 著者 | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | 登録日 | 2020-11-12 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism. Acs Catalysis, 11, 2021
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7B2E
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![BU of 7b2e by Molmil](/molmil-images/mine/7b2e) | quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ... | 著者 | Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J. | 登録日 | 2020-11-26 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism. Acs Catalysis, 11, 2021
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7BKC
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![BU of 7bkc by Molmil](/molmil-images/mine/7bkc) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (dimeric, composite structure) | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ... | 著者 | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | 登録日 | 2021-01-15 | 公開日 | 2021-09-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7AM1
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![BU of 7am1 by Molmil](/molmil-images/mine/7am1) | Structure of yeast Ssd1, a pseudonuclease | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1 | 著者 | Cook, A.G, Jayachandran, U. | 登録日 | 2020-10-07 | 公開日 | 2021-08-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site. Nucleic Acids Res., 50, 2022
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7BJ3
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![BU of 7bj3 by Molmil](/molmil-images/mine/7bj3) | ScpA from Streptococcus pyogenes, S512A active site mutant | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ... | 著者 | Kagawa, T.F, O'Connell, M.R, Cooney, J.C. | 登録日 | 2021-01-13 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease. Comput Struct Biotechnol J, 19, 2021
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8DAF
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![BU of 8daf by Molmil](/molmil-images/mine/8daf) | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | 分子名称: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | 著者 | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | 登録日 | 2022-06-13 | 公開日 | 2023-06-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
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8CTK
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8DSS
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8DTA
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![BU of 8dta by Molmil](/molmil-images/mine/8dta) | |
8EB9
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8EBB
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8EE2
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![BU of 8ee2 by Molmil](/molmil-images/mine/8ee2) | |
8E2N
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![BU of 8e2n by Molmil](/molmil-images/mine/8e2n) | |
8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Tomlinson, A.C.A, Yano, J.K. | 登録日 | 2022-10-11 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8F43
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![BU of 8f43 by Molmil](/molmil-images/mine/8f43) | HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant | 分子名称: | CRISPR-associated endonuclease Cas9 | 著者 | D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G. | 登録日 | 2022-11-10 | 公開日 | 2022-12-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage. J.Chem.Phys., 157, 2022
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8CR8
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![BU of 8cr8 by Molmil](/molmil-images/mine/8cr8) | human Interleukin-23 | 分子名称: | Interleukin-12 subunit beta, Interleukin-23 subunit alpha, TERBIUM(III) ION, ... | 著者 | Bloch, Y, Savvides, S.N. | 登録日 | 2023-03-08 | 公開日 | 2024-02-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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8ER6
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![BU of 8er6 by Molmil](/molmil-images/mine/8er6) | FKBP12-FRB in Complex with Compound 11 | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Tomlinson, A.C.A, Yano, J.K. | 登録日 | 2022-10-11 | 公開日 | 2022-12-28 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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