8VCH
 
 | |
8VCX
 | | Human TCR A2.13 in complex with DQ8-InsCpep | | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Tran, T.M, Lim, J.J, Loh, T.J, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2023-12-14 | | Release date: | 2024-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 300, 2024
|
|
8VD2
 | | Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hybrid insulin peptide (HIP; InsC8-15-IAPP23-29 ), MHC class II HLA-DQ-alpha chain, ... | | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2023-12-14 | | Release date: | 2024-08-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 300, 2024
|
|
8VCY
 | | Human TCR A2.13 in complex with DQ8-InsC8-15NPY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-NPY68-74), ... | | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2023-12-14 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 300, 2024
|
|
7UR9
 | | SARS-Cov2 Main protease in complex with inhibitor CDD-1845 | | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5 | | Authors: | Lu, S, Palzkill, T. | | Deposit date: | 2022-04-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
|
|
7URB
 | | Sars-Cov2 Main Protease in complex with CDD-1733 | | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | | Deposit date: | 2022-04-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
|
|
7US4
 | | Sars-Cov2 Main Protease in complex with CDD-1819 | | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | | Deposit date: | 2022-04-22 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
|
|
3J77
 | | Structures of yeast 80S ribosome-tRNA complexes in the rotated and non-rotated conformations (Class II - rotated ribosome with 1 tRNA) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | | Authors: | Svidritskiy, E, Brilot, A.F, Koh, C.S, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2014-05-29 | | Release date: | 2014-08-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structures of Yeast 80S Ribosome-tRNA Complexes in the Rotated and Nonrotated Conformations.
Structure, 22, 2014
|
|
4ACG
 | | GSK3b in complex with inhibitor | | Descriptor: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
|
|
4ACC
 | | GSK3b in complex with inhibitor | | Descriptor: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | Authors: | Xue, Y, Ormo, M. | | Deposit date: | 2011-12-14 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
|
|
7BGN
 | |
7BGM
 | |
5DP0
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 4-fluorophenylamino-substituted triaryl-ethylene derivative 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol | | Descriptor: | 4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-11 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
|
|
8UFZ
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGCGGAAGTG) in Ternary Complex with DB1976 | | Descriptor: | (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*TP*TP*AP*T)-3'), ... | | Authors: | Terrell, J.R, Poon, G.M.K, Wilson, W.D. | | Deposit date: | 2023-10-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders
To Be Published
|
|
8UFF
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAAGTGGG) in Ternary Complex with DB1976 | | Descriptor: | (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), ... | | Authors: | Terrell, J.R, Poon, G.M.K, Wilson, W.D. | | Deposit date: | 2023-10-04 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders
To Be Published
|
|
8VDI
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) in Ternary Complex with DB2447 | | Descriptor: | 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), ... | | Authors: | Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D. | | Deposit date: | 2023-12-15 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Characterization of GC Base Pair Recognition by a Diamidine Small Molecule
To Be Published
|
|
8VDH
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAGAAGGAAGTGGG) in Ternary Complex with DB2447 | | Descriptor: | 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*GP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*CP*TP*AP*T)-3'), ... | | Authors: | Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D. | | Deposit date: | 2023-12-15 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural Characterization of GC Base Pair Recognition by a Diamidine Small Molecule
To Be Published
|
|
7JQE
 | | Structure of an extracellular fragment of EsaA from Streptococcus gallolyticus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ESAT-6/WXG100 secretion system protein | | Authors: | Klein, T.A, Grebenc, D.W, Kim, Y, Whitney, J.C. | | Deposit date: | 2020-08-10 | | Release date: | 2020-11-11 | | Last modified: | 2021-02-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Extracellular Region of the Bacterial Type VIIb Secretion System Subunit EsaA.
Structure, 29, 2021
|
|
7JPO
 | |
8VVB
 | | Influenza antibody L5A7 Fab | | Descriptor: | L5A7 Heavy Chain, L5A7 Light Chain | | Authors: | Harris, D.R, Olia, A.S, Kwong, P.D. | | Deposit date: | 2024-01-30 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
|
|
7DMG
 | | Short chain dehydrogenase 2 (SCR2) crystal structure with NADP | | Descriptor: | (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-12-03 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
|
|
7DN1
 | | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-12-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
|
|
7DLL
 | | Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
|
|
7DLM
 | | Short chain dehydrogenase (SCR) crystal structure with NADPH | | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
|
|
7K97
 | | Human DNA polymerase beta dGDP product complex with Mn2+ | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Varela, F.A, Freudenthal, B.D. | | Deposit date: | 2020-09-28 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
|
|
