7A0B
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![BU of 7a0b by Molmil](/molmil-images/mine/7a0b) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane | 分子名称: | (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2020-08-07 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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7A9E
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![BU of 7a9e by Molmil](/molmil-images/mine/7a9e) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone | 分子名称: | 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ... | 著者 | Nguyen, D, You, S, Heine, A, Klebe, G. | 登録日 | 2020-09-01 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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8BXG
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![BU of 8bxg by Molmil](/molmil-images/mine/8bxg) | Structure of the K/H exchanger KefC. | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ... | 著者 | Gulati, A, Drew, D. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | 主引用文献 | Structure and mechanism of the K + /H + exchanger KefC. Nat Commun, 15, 2024
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4KKX
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![BU of 4kkx by Molmil](/molmil-images/mine/4kkx) | Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site | 分子名称: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | 登録日 | 2013-05-06 | 公開日 | 2014-01-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states. Biochemistry, 52, 2013
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8BTN
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8BTP
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![BU of 8btp by Molmil](/molmil-images/mine/8btp) | Helical structure of BcThsA in complex with 1''-3'gc(etheno)ADPR | 分子名称: | (1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol, ETHENO-NAD, NAD(+) hydrolase ThsA | 著者 | Tamulaitiene, G, Sasnauskas, G, Sabonis, D. | 登録日 | 2022-11-29 | 公開日 | 2024-02-21 | 最終更新日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | 主引用文献 | Activation of Thoeris antiviral system via SIR2 effector filament assembly. Nature, 627, 2024
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6ZLX
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6ZOI
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![BU of 6zoi by Molmil](/molmil-images/mine/6zoi) | A lid blocking mechanism of a cone snail toxin revealed at the atomic level | 分子名称: | Conknunitzin-C3 mutante | 著者 | Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I. | 登録日 | 2020-07-07 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | A lid blocking mechanism of a cone snail toxin revealed at the atomic level To Be Published
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8OTX
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![BU of 8otx by Molmil](/molmil-images/mine/8otx) | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in nanodisc | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sperm-specific sodium proton exchanger | 著者 | Yeo, H, Mehta, V, Gulati, A, Drew, D. | 登録日 | 2023-04-21 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-22 | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | 主引用文献 | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger. Nature, 623, 2023
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6ZWK
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![BU of 6zwk by Molmil](/molmil-images/mine/6zwk) | Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody) | 分子名称: | CHLORIDE ION, Histone H2AX, SODIUM ION, ... | 著者 | McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A. | 登録日 | 2020-07-28 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress. Cancers (Basel), 13, 2021
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8OTQ
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![BU of 8otq by Molmil](/molmil-images/mine/8otq) | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in GDN | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, Sperm-specific sodium proton exchanger | 著者 | Yeo, H, Mehta, V, Gulati, A, Drew, D. | 登録日 | 2023-04-21 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-22 | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | 主引用文献 | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger. Nature, 623, 2023
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6ZX9
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![BU of 6zx9 by Molmil](/molmil-images/mine/6zx9) | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | 分子名称: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | 著者 | Schwefel, D, Banchenko, S. | 登録日 | 2020-07-29 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.519729 Å) | 主引用文献 | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses. Plos Pathog., 17, 2021
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6ZUE
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8C77
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![BU of 8c77 by Molmil](/molmil-images/mine/8c77) | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | 登録日 | 2023-01-12 | 公開日 | 2023-01-25 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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8BZV
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8OMI
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![BU of 8omi by Molmil](/molmil-images/mine/8omi) | Crystal structure of the inositol hexakisphosphate kinase EhIP6KA M85 variant in complex with ATP and Mg2+ | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Schuetz, A, Aguirre, T, Fiedler, D. | 登録日 | 2023-03-31 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | An unconventional gatekeeper mutation sensitizes inositol hexakisphosphate kinases to an allosteric inhibitor. Elife, 12, 2023
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7AE7
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8CKS
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![BU of 8cks by Molmil](/molmil-images/mine/8cks) | Crystal structure of Human Serum Albumin in complex with FESAN | 分子名称: | 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane), DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Dolot, R.M, Kaniowski, D, Ebenryter-Olbinska, K, Szczupak, P, Suwara, J, Nawrot, B.C. | 登録日 | 2023-02-16 | 公開日 | 2023-03-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of Human Serum Albumin in complex with FESAN To Be Published
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7AE4
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4L7J
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![BU of 4l7j by Molmil](/molmil-images/mine/4l7j) | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | 分子名称: | 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1 | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | 登録日 | 2013-06-13 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1) Tetrahedron Lett., 2013
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8C5M
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![BU of 8c5m by Molmil](/molmil-images/mine/8c5m) | SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Falke, S. | 登録日 | 2023-01-09 | 公開日 | 2023-03-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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7AE5
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3NGK
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8C0Q
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![BU of 8c0q by Molmil](/molmil-images/mine/8c0q) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | 分子名称: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2022-12-19 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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8C0R
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![BU of 8c0r by Molmil](/molmil-images/mine/8c0r) | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | 分子名称: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2022-12-19 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors. Biology (Basel), 12, 2023
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