8JTZ
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![BU of 8jtz by Molmil](/molmil-images/mine/8jtz) | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JTT
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![BU of 8jtt by Molmil](/molmil-images/mine/8jtt) | hOCT1 in complex with metformin in outward occluded conformation | Descriptor: | Metformin, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JTY
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![BU of 8jty by Molmil](/molmil-images/mine/8jty) | hOCT1 in complex with nb5660 in inward facing partially open 2 conformation | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8JTV
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![BU of 8jtv by Molmil](/molmil-images/mine/8jtv) | hOCT1 in complex with metformin in inward occluded conformation | Descriptor: | Metformin, Solute carrier family 22 member 1 | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | Deposit date: | 2023-06-22 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition. Cell Discov, 10, 2024
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8IM7
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![BU of 8im7 by Molmil](/molmil-images/mine/8im7) | Human gamma-secretase treated with ganglioside GM1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, R, Yang, G, Shi, Y. | Deposit date: | 2023-03-06 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease. Adv Sci, 10, 2023
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7AQE
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![BU of 7aqe by Molmil](/molmil-images/mine/7aqe) | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Meents, A. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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8JPN
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![BU of 8jpn by Molmil](/molmil-images/mine/8jpn) | Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi | Descriptor: | (2R,3S)-oxirane-2,3-dicarboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y. | Deposit date: | 2023-06-12 | Release date: | 2024-05-22 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1. Cell Res., 34, 2024
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8JPP
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![BU of 8jpp by Molmil](/molmil-images/mine/8jpp) | Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y. | Deposit date: | 2023-06-12 | Release date: | 2024-05-22 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1. Cell Res., 34, 2024
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7C8P
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![BU of 7c8p by Molmil](/molmil-images/mine/7c8p) | |
5X83
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![BU of 5x83 by Molmil](/molmil-images/mine/5x83) | Structure of DCC FN456 domains | Descriptor: | Netrin receptor DCC | Authors: | Finci, F.I, Xiao, J, Wang, J. | Deposit date: | 2017-02-28 | Release date: | 2017-09-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structure of unliganded membrane-proximal domains FN4-FN5-FN6 of DCC Protein Cell, 8, 2017
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6K41
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![BU of 6k41 by Molmil](/molmil-images/mine/6k41) | cryo-EM structure of alpha2BAR-GoA complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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6HY0
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![BU of 6hy0 by Molmil](/molmil-images/mine/6hy0) | Atomic models of P1, P4 C-terminal fragment and P8 fitted in the bacteriophage phi6 nucleocapsid reconstructed with icosahedral symmetry | Descriptor: | Major Outer Capsid Protein P8, Major inner protein P1, Packaging Enzyme P4 | Authors: | El Omari, K, Ilca, S.L, Stuart, D.I, Huiskonen, J.T. | Deposit date: | 2018-10-18 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Multiple liquid crystalline geometries of highly compacted nucleic acid in a dsRNA virus. Nature, 570, 2019
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6K42
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![BU of 6k42 by Molmil](/molmil-images/mine/6k42) | cryo-EM structure of alpha2BAR-Gi1 complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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7Y99
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![BU of 7y99 by Molmil](/molmil-images/mine/7y99) | Crystal Structure Analysis of cp2 bound BCLxl | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-24 | Release date: | 2023-09-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YAA
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![BU of 7yaa by Molmil](/molmil-images/mine/7yaa) | Crystal structure analysis of cp3 bound BCLxl | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-27 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7Y90
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![BU of 7y90 by Molmil](/molmil-images/mine/7y90) | Crystal Structure Analysis of cp1 bound BCL2 | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | Authors: | Li, F.W. | Deposit date: | 2022-06-24 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7Y8D
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![BU of 7y8d by Molmil](/molmil-images/mine/7y8d) | Crystal structure of cp1 bound BCLxl | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-23 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YA5
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![BU of 7ya5 by Molmil](/molmil-images/mine/7ya5) | Crystal structure analysis of cp1 bound BCL2/G101V | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-27 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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7YB7
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![BU of 7yb7 by Molmil](/molmil-images/mine/7yb7) | anti-apoptotic protein BCL-2-M12 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | Authors: | Li, F.W, Liu, C, Wu, D.L. | Deposit date: | 2022-06-29 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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8WX7
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![BU of 8wx7 by Molmil](/molmil-images/mine/8wx7) | Crystal structure of SHP2 in complex with JAB-3186 | Descriptor: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W. | Deposit date: | 2023-10-27 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment. J.Med.Chem., 2024
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7YE7
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![BU of 7ye7 by Molmil](/molmil-images/mine/7ye7) | Crystal structure of SARS-CoV-2 soluble dimeric ORF9b | Descriptor: | N-OCTANE, ORF9b protein, nonane | Authors: | Jin, X, Chai, Y, Qi, J, Song, H, Gao, G.F. | Deposit date: | 2022-07-05 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural characterization of SARS-CoV-2 dimeric ORF9b reveals potential fold-switching trigger mechanism. Sci China Life Sci, 66, 2023
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7YE8
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![BU of 7ye8 by Molmil](/molmil-images/mine/7ye8) | Crystal structure of SARS-CoV-2 refolded dimeric ORF9b | Descriptor: | N-OCTANE, ORF9b protein | Authors: | Jin, X, Chai, Y, Qi, J, Song, H, Gao, G.F. | Deposit date: | 2022-07-05 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural characterization of SARS-CoV-2 dimeric ORF9b reveals potential fold-switching trigger mechanism. Sci China Life Sci, 66, 2023
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7WFY
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![BU of 7wfy by Molmil](/molmil-images/mine/7wfy) | |
7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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