8Y92
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![BU of 8y92 by Molmil](/molmil-images/mine/8y92) | structure of NET-Atomoxetine in outward-open state | Descriptor: | (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8Y8Z
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![BU of 8y8z by Molmil](/molmil-images/mine/8y8z) | Structure of NET-Maprotiline in outward-open state | Descriptor: | CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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7QNY
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![BU of 7qny by Molmil](/molmil-images/mine/7qny) | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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7QNW
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![BU of 7qnw by Molmil](/molmil-images/mine/7qnw) | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-12-23 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses. Cell, 185, 2022
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7QQB
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![BU of 7qqb by Molmil](/molmil-images/mine/7qqb) | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2022-01-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody. Sci Transl Med, 15, 2023
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8EOO
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![BU of 8eoo by Molmil](/molmil-images/mine/8eoo) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibodies WRAIR-2063 and WRAIR-2151 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | Authors: | Jensen, J.L, Sankhala, R.S, Joyce, M.G. | Deposit date: | 2022-10-03 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Targeting the Spike Receptor Binding Domain Class V Cryptic Epitope by an Antibody with Pan-Sarbecovirus Activity. J.Virol., 97, 2023
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8TM2
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![BU of 8tm2 by Molmil](/molmil-images/mine/8tm2) | |
8TLZ
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![BU of 8tlz by Molmil](/molmil-images/mine/8tlz) | |
9AXM
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![BU of 9axm by Molmil](/molmil-images/mine/9axm) | Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ... | Authors: | Quade, B, Huang, X. | Deposit date: | 2024-03-06 | Release date: | 2024-04-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers. Cancer Discov, 14, 2024
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3PVL
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![BU of 3pvl by Molmil](/molmil-images/mine/3pvl) | Structure of myosin VIIa MyTH4-FERM-SH3 in complex with the CEN1 of Sans | Descriptor: | GLYCEROL, Myosin VIIa isoform 1, PHOSPHATE ION, ... | Authors: | Wu, L, Pan, L.F, Wei, Z.Y, Zhang, M.J. | Deposit date: | 2010-12-07 | Release date: | 2011-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of MyTH4-FERM domains in myosin VIIa tail bound to cargo. Science, 331, 2011
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4V25
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![BU of 4v25 by Molmil](/molmil-images/mine/4v25) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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6O3B
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![BU of 6o3b by Molmil](/molmil-images/mine/6o3b) | Crystal structure of Frizzled 7 CRD in complex with F6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab F6, Heavy chain, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3PYY
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![BU of 3pyy by Molmil](/molmil-images/mine/3pyy) | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | Deposit date: | 2010-12-13 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
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3PZD
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![BU of 3pzd by Molmil](/molmil-images/mine/3pzd) | Structure of the myosin X MyTH4-FERM/DCC complex | Descriptor: | GLYCEROL, Myosin-X, Netrin receptor DCC | Authors: | Wei, Z, Yan, J, Pan, L, Zhang, M. | Deposit date: | 2010-12-14 | Release date: | 2011-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cargo recognition mechanism of myosin X revealed by the structure of its tail MyTH4-FERM tandem in complex with the DCC P3 domain Proc.Natl.Acad.Sci.USA, 108, 2011
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3RO3
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![BU of 3ro3 by Molmil](/molmil-images/mine/3ro3) | crystal structure of LGN/mInscuteable complex | Descriptor: | CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ... | Authors: | Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M. | Deposit date: | 2011-04-25 | Release date: | 2012-03-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways Mol.Cell, 43, 2011
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7CJB
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![BU of 7cjb by Molmil](/molmil-images/mine/7cjb) | |
7BV4
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![BU of 7bv4 by Molmil](/molmil-images/mine/7bv4) | Crystal structure of STX17 LIR region in complex with GABARAP | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ... | Authors: | Li, Y, Pan, L.F. | Deposit date: | 2020-04-09 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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8X23
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![BU of 8x23 by Molmil](/molmil-images/mine/8x23) | The Crystal Structure of MAPK13 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of MAPK13 from Biortus. To Be Published
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5IPJ
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![BU of 5ipj by Molmil](/molmil-images/mine/5ipj) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | Descriptor: | 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2016-03-09 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors. J.Med.Chem., 59, 2016
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4PMM
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![BU of 4pmm by Molmil](/molmil-images/mine/4pmm) | |
4WRS
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![BU of 4wrs by Molmil](/molmil-images/mine/4wrs) | |
6LYX
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![BU of 6lyx by Molmil](/molmil-images/mine/6lyx) | Crystal structure of oxidized ACHT1 | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ... | Authors: | Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M. | Deposit date: | 2020-02-16 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Structural insight into the biological functions of Arabidopsis thaliana ACHT1. Int.J.Biol.Macromol., 158, 2020
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5Z7L
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![BU of 5z7l by Molmil](/molmil-images/mine/5z7l) | Crystal structure of NDP52 SKICH region in complex with NAP1 | Descriptor: | 5-azacytidine-induced protein 2, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL | Authors: | Fu, T, Pan, L.F. | Deposit date: | 2018-01-29 | Release date: | 2019-01-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1 Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6LYW
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![BU of 6lyw by Molmil](/molmil-images/mine/6lyw) | Structural insight into the biological functions of Arabidopsis thaliana ACHT1 | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ... | Authors: | Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M. | Deposit date: | 2020-02-16 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the biological functions of Arabidopsis thaliana ACHT1. Int.J.Biol.Macromol., 158, 2020
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