1MOL
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![BU of 1mol by Molmil](/molmil-images/mine/1mol) | |
5J3F
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![BU of 5j3f by Molmil](/molmil-images/mine/5j3f) | NMR solution structure of [Rp, Rp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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4JA8
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![BU of 4ja8 by Molmil](/molmil-images/mine/4ja8) | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | Descriptor: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | Authors: | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | Deposit date: | 2013-02-18 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science, 340, 2013
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5J3G
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5J3I
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![BU of 5j3i by Molmil](/molmil-images/mine/5j3i) | NMR solution structure of [Sp, Sp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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5IZ8
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![BU of 5iz8 by Molmil](/molmil-images/mine/5iz8) | Protein-protein interaction | Descriptor: | ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZA
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![BU of 5iza by Molmil](/molmil-images/mine/5iza) | Protein-protein interaction | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZ9
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![BU of 5iz9 by Molmil](/molmil-images/mine/5iz9) | Protein-protein interaction | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZ6
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![BU of 5iz6 by Molmil](/molmil-images/mine/5iz6) | Protein-protein interaction | Descriptor: | Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ... | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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6K9H
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![BU of 6k9h by Molmil](/molmil-images/mine/6k9h) | Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-15 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors. Eur.J.Med.Chem., 194, 2020
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4FVT
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![BU of 4fvt by Molmil](/molmil-images/mine/4fvt) | Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | Descriptor: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dai, H. | Deposit date: | 2012-06-29 | Release date: | 2012-08-15 | Last modified: | 2012-09-19 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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4G1C
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![BU of 4g1c by Molmil](/molmil-images/mine/4g1c) | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Dai, H. | Deposit date: | 2012-07-10 | Release date: | 2012-08-15 | Last modified: | 2012-09-19 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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8V7Z
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![BU of 8v7z by Molmil](/molmil-images/mine/8v7z) | Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | Authors: | Gao, X, Hwang, T. | Deposit date: | 2023-12-04 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore. Nat Commun, 15, 2024
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8V81
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![BU of 8v81 by Molmil](/molmil-images/mine/8v81) | Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane conductance regulator | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gao, X, Hwang, T. | Deposit date: | 2023-12-04 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore. Nat Commun, 15, 2024
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4G1N
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![BU of 4g1n by Molmil](/molmil-images/mine/4g1n) | PKM2 in complex with an activator | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy. Chem.Biol., 19, 2012
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6K9G
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![BU of 6k9g by Molmil](/molmil-images/mine/6k9g) | Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-15 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors. Eur.J.Med.Chem., 194, 2020
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8WHZ
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![BU of 8whz by Molmil](/molmil-images/mine/8whz) | BA.2.86 RBD in complex with hACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-06-26 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8X55
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![BU of 8x55 by Molmil](/molmil-images/mine/8x55) | BA.2.86 Spike Trimer with T356K mutation (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8X4Z
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![BU of 8x4z by Molmil](/molmil-images/mine/8x4z) | BA.2.86 Spike Trimer with ins483V mutation (3 RBD down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8X56
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![BU of 8x56 by Molmil](/molmil-images/mine/8x56) | BA.2.86 Spike Trimer with T356K mutation (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8WHS
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![BU of 8whs by Molmil](/molmil-images/mine/8whs) | Spike Trimer of BA.2.86 in complex with one hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-07-03 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8X50
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![BU of 8x50 by Molmil](/molmil-images/mine/8x50) | BA.2.86 Spike Trimer with ins483V mutation (1 RBD up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-11-16 | Release date: | 2024-06-26 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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8WHV
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![BU of 8whv by Molmil](/molmil-images/mine/8whv) | Spike Trimer of BA.2.86 with three RBDs down | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yue, C, Liu, P. | Deposit date: | 2023-09-23 | Release date: | 2024-07-03 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity. Natl Sci Rev, 11, 2024
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5TBP
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![BU of 5tbp by Molmil](/molmil-images/mine/5tbp) | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X. | Deposit date: | 2016-09-12 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha. Nat Commun, 8, 2017
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6WCZ
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![BU of 6wcz by Molmil](/molmil-images/mine/6wcz) | CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | Descriptor: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | Authors: | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | Deposit date: | 2020-03-31 | Release date: | 2020-07-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for STAT2 suppression by flavivirus NS5. Nat.Struct.Mol.Biol., 27, 2020
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