7C2I
 
 | | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | | Authors: | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | | Deposit date: | 2020-05-07 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
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7CWB
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7CWC
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6DIG
 | | Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide | | Descriptor: | 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
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7NPL
 | | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
 | | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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4HE4
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4EDS
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2PH6
 | | Crystal Structure of Human Beta Secretase Complexed with inhibitor | | Descriptor: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | | Authors: | Munshi, S. | | Deposit date: | 2007-04-10 | | Release date: | 2007-06-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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5CF8
 | | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | | Descriptor: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Sack, J.S. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms.
Acs Med.Chem.Lett., 6, 2015
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2VOZ
 | | Apo FutA2 from Synechocystis PCC6803 | | Descriptor: | PERIPLASMIC IRON-BINDING PROTEIN, SULFATE ION | | Authors: | Badarau, A, Firbank, S.J, Banfield, M.J, Dennison, C. | | Deposit date: | 2008-02-25 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Futa2 is a Ferric Binding Protein from Synechocystis Pcc 6803.
J.Biol.Chem., 283, 2008
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2VP1
 | | Fe-FutA2 from Synechocystis PCC6803 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE (III) ION, ... | | Authors: | Badarau, A, Firbank, S.J, Banfield, M.J, Dennison, C. | | Deposit date: | 2008-02-26 | | Release date: | 2008-03-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Futa2 is a Ferric Binding Protein from Synechocystis Pcc 6803.
J.Biol.Chem., 283, 2008
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8SW8
 | | Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand | | Descriptor: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Farrants, H, Schreiter, E.R. | | Deposit date: | 2023-05-17 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging.
Nat.Methods, 21, 2024
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5ZVV
 | | Structure of SeMet-phAimR | | Descriptor: | AimR transcriptional regulator, GLYCEROL | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-13 | | Release date: | 2018-09-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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5ZW6
 | | Structure of spAimR | | Descriptor: | AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-14 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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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: | 2024-11-06 | | 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
 | | 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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1VYU
 | | Beta3 subunit of Voltage-gated Ca2+-channel | | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT | | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Liang, T, Yang, J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
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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: | 2024-11-06 | | 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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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: | 2024-11-06 | | 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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8WHU
 | | Spike Trimer of BA.2.86 in complex with two hACE2s | | 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: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.3 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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8X5R
 | | SARS-CoV-2 BA.2.75 Spike with K356T mutation (1 RBD up) | | 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: | Yue, C, Liu, P. | | Deposit date: | 2023-11-17 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.72 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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8WHW
 | | Spike Trimer of BA.2.86 with single 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: | 2023-09-23 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.85 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
 | | 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: | 2024-10-23 | | 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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8X4H
 | | SARS-CoV-2 JN.1 Spike | | 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: | 2023-11-15 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.65 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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