7EQ2
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![BU of 7eq2 by Molmil](/molmil-images/mine/7eq2) | Crystal structure of GDP-bound Rab1a-T75D | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... | Authors: | Cao, Y.L, Gu, D.D, Gao, S. | Deposit date: | 2021-04-28 | Release date: | 2022-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55090284 Å) | Cite: | Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis Nat.Struct.Mol.Biol., 2024
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6IWV
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7WHD
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![BU of 7whd by Molmil](/molmil-images/mine/7whd) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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2QC1
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![BU of 2qc1 by Molmil](/molmil-images/mine/2qc1) | Crystal structure of the extracellular domain of the nicotinic acetylcholine receptor 1 subunit bound to alpha-bungarotoxin at 1.9 A resolution | Descriptor: | Acetylcholine receptor subunit alpha, Alpha-bungarotoxin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Dellisanti, C.D, Yao, Y, Stroud, J.C, Wang, Z, Chen, L. | Deposit date: | 2007-06-18 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution. Nat.Neurosci., 10, 2007
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6AOC
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![BU of 6aoc by Molmil](/molmil-images/mine/6aoc) | Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ... | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-08-15 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H. Eur J Med Chem, 141, 2017
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6CA4
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![BU of 6ca4 by Molmil](/molmil-images/mine/6ca4) | Crystal structure of humanized D. rerio TDP2 by 14 mutations | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Shi, K, Aihrara, H. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci, 118, 2018
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6BXF
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![BU of 6bxf by Molmil](/molmil-images/mine/6bxf) | Crystal structure of an extended b3 integrin L33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | Authors: | Zhou, D, Zhu, J. | Deposit date: | 2017-12-18 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an extended beta3integrin. Blood, 132, 2018
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7WHB
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![BU of 7whb by Molmil](/molmil-images/mine/7whb) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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6BXB
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![BU of 6bxb by Molmil](/molmil-images/mine/6bxb) | Crystal structure of an extended b3 integrin P33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | Authors: | Zhou, D, Zhu, J. | Deposit date: | 2017-12-18 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of an extended beta3integrin. Blood, 132, 2018
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6D1W
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![BU of 6d1w by Molmil](/molmil-images/mine/6d1w) | human PKD2 F604P mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | Authors: | Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E. | Deposit date: | 2018-04-12 | Release date: | 2018-06-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels. Nat Commun, 9, 2018
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6CKB
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![BU of 6ckb by Molmil](/molmil-images/mine/6ckb) | Crystal structure of an extended beta3 integrin P33 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | Authors: | Zhou, D, Zhu, J. | Deposit date: | 2018-02-27 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of an extended beta3integrin. Blood, 132, 2018
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7K6M
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![BU of 7k6m by Molmil](/molmil-images/mine/7k6m) | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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5TUQ
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![BU of 5tuq by Molmil](/molmil-images/mine/5tuq) | Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | Descriptor: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-11-07 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase. Eur J Med Chem, 128, 2017
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7KWU
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![BU of 7kwu by Molmil](/molmil-images/mine/7kwu) | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | Authors: | Ruiz, F.X, Arnold, E. | Deposit date: | 2020-12-02 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies. J.Med.Chem., 64, 2021
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7X45
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![BU of 7x45 by Molmil](/molmil-images/mine/7x45) | Grass carp interferon gamma related | Descriptor: | Interferon gamma | Authors: | Wang, J, Zou, J, Zhu, X. | Deposit date: | 2022-03-02 | Release date: | 2022-09-14 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Novel Dimeric Architecture of an IFN-gamma-Related Cytokine Provides Insights into Subfunctionalization of Type II IFNs in Teleost Fish. J Immunol., 209, 2022
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5UJJ
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5UJI
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4JAI
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![BU of 4jai by Molmil](/molmil-images/mine/4jai) | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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7K6O
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![BU of 7k6o by Molmil](/molmil-images/mine/7k6o) | Crystal structure of PI3Kalpha inhibitor 10-5429 | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K71
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![BU of 7k71 by Molmil](/molmil-images/mine/7k71) | Crystal structure of PI3Kalpha inhibitor 4-0686 | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/7k6n) | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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5ZR6
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![BU of 5zr6 by Molmil](/molmil-images/mine/5zr6) | Manganese-dependent transcriptional repressor complex with manganese | Descriptor: | MANGANESE (II) ION, Metal-dependent transcriptional regulator | Authors: | Cong, X.Y, Xu, S.J, Wang, J.B. | Deposit date: | 2018-04-23 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of manganese-dependent transcriptional repressor MntR (Rv2788) from Mycobacterium tuberculosis in apo and manganese bound forms. Biochem. Biophys. Res. Commun., 501, 2018
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7XMX
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![BU of 7xmx by Molmil](/molmil-images/mine/7xmx) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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7XMZ
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![BU of 7xmz by Molmil](/molmil-images/mine/7xmz) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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