6CS2
 
 | | SARS Spike Glycoprotein - human ACE2 complex, Stabilized variant, all ACE2-bound particles | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | Deposit date: | 2018-03-19 | | Release date: | 2018-04-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
|
|
8E1A
 | | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | | Authors: | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | | Deposit date: | 2022-08-10 | | Release date: | 2022-09-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
|
|
8DL0
 | |
6CGQ
 | | Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and PLP-Ala | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Petronikolou, N, Nair, S.K. | | Deposit date: | 2018-02-20 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019
|
|
8E1F
 | | Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D. | | Deposit date: | 2022-08-10 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
To Be Published
|
|
6CHG
 | | Crystal structure of the yeast COMPASS catalytic module | | Descriptor: | H3, Histone-lysine N-methyltransferase, H3 lysine-4 specific, ... | | Authors: | Hsu, P.L, Li, H, Zheng, N. | | Deposit date: | 2018-02-22 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.985 Å) | | Cite: | Crystal Structure of the COMPASS H3K4 Methyltransferase Catalytic Module.
Cell, 174, 2018
|
|
8EBF
 | |
6CHV
 | | Proteus vulgaris HigA antitoxin bound to DNA | | Descriptor: | Antitoxin HigA, MAGNESIUM ION, pHigCryst3, ... | | Authors: | Schureck, M.A, Hoffer, E.D, Onuoha, N, Dunham, C.M. | | Deposit date: | 2018-02-23 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of transcriptional regulation by the HigA antitoxin.
Mol.Microbiol., 111, 2019
|
|
8DKY
 | |
8DNE
 | |
6CHH
 | | Structure of human NNMT in complex with bisubstrate inhibitor MS2756 | | Descriptor: | (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase | | Authors: | Babault, N, Liu, J, Jin, J. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
|
|
6CNI
 | | Crystal structure of H105A PGAM5 dimer | | Descriptor: | PHOSPHATE ION, SODIUM ION, Serine/threonine-protein phosphatase PGAM5, ... | | Authors: | Ruiz, K, Agnew, C, Jura, N. | | Deposit date: | 2018-03-08 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Functional role of PGAM5 multimeric assemblies and their polymerization into filaments.
Nat Commun, 10, 2019
|
|
6BZV
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the GL precursor of the broadly neutralizing antibody 19B3 | | Descriptor: | 19B3 GL Heavy Chain, 19B3 GL Light Chain, E2 AS412 peptide | | Authors: | Tzarum, N, Aleman, F, Wilson, I.A, Law, M. | | Deposit date: | 2017-12-26 | | Release date: | 2018-06-20 | | Last modified: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6BKD
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3D heavy chain, Fab AR3D light chain, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
|
|
6CON
 | | Crystal structure of Mycobacterium tuberculosis IpdAB | | Descriptor: | CoA-transferase subunit alpha, CoA-transferase subunit beta | | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6CO6
 | | Crystal structure of Rhodococcus jostii RHA1 IpdAB | | Descriptor: | GLYCEROL, Probable CoA-transferase alpha subunit, Probable CoA-transferase beta subunit, ... | | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8AQN
 | | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | | Descriptor: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-08-12 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
|
|
8E1Z
 | |
8AQM
 | | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | | Descriptor: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | | Deposit date: | 2022-08-12 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 .
J.Med.Chem., 65, 2022
|
|
6CHF
 | | Crystal structure of a Fc fragment LALA mutant (L234A, L235A) of human IgG1 (crystal form 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uncharacterized protein DKFZp686C11235 | | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2018-02-22 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Antigen-Induced Allosteric Changes in a Human IgG1 Fc Increase Low-Affinity Fc gamma Receptor Binding.
Structure, 2020
|
|
8E59
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
6CHJ
 | |
8E5B
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
8E57
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
8E5A
 | | Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
