4D2K
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4EJN
| Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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4DPV
| PARVOVIRUS/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN) | Authors: | Chapman, M.S, Rossmann, M.G. | Deposit date: | 1996-02-01 | Release date: | 1997-04-01 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Canine parvovirus capsid structure, analyzed at 2.9 A resolution. J.Mol.Biol., 264, 1996
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7JKQ
| Human DPP9-CARD8 complex | Descriptor: | Caspase recruitment domain-containing protein 8, Dipeptidyl peptidase 9 | Authors: | Sharif, H, Hollingsworth, L.R. | Deposit date: | 2020-07-28 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Dipeptidyl peptidase 9 sets a threshold for CARD8 inflammasome formation by sequestering its active C-terminal fragment. Immunity, 54, 2021
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6AU2
| Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-30 | Release date: | 2017-10-11 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain. Bioorg.Med.Chem., 27, 2019
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6BHG
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
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6CDB
| Crystal Structure of V66L CzrA in the Zn(II)bound state | Descriptor: | ArsR family transcriptional regulator, CHLORIDE ION, SODIUM ION, ... | Authors: | Capdevila, D.A, Campanello, G, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2018-02-08 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System. J. Am. Chem. Soc., 140, 2018
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6CDA
| Crystal structure of L34A CzrA in the Zn(II)bound state | Descriptor: | ArsR family transcriptional regulator, CHLORIDE ION, GLYCEROL, ... | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2018-02-08 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System. J. Am. Chem. Soc., 140, 2018
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6BHE
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
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6BHI
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
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6BHD
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ... | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
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6BHH
| Crystal structure of SETDB1 with a modified H3 peptide | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-10-30 | Release date: | 2017-11-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1. Nat Commun, 8, 2017
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4YPG
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6ATT
| 39S Fab bound to HER2 ecd | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 39S Fab heavy chain, ... | Authors: | Oganesyan, V.Y, Dall'Acqua, W.F. | Deposit date: | 2017-08-29 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Structural insights into the mechanism of action of a biparatopic anti-HER2 antibody. J. Biol. Chem., 293, 2018
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4ZN2
| Glycosyl hydrolase from Pseudomonas aeruginosa | Descriptor: | PslG | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2015-05-04 | Release date: | 2016-01-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix Cell Res., 25, 2015
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6JBT
| Complex structure of toripalimab-Fab and PD-1 | Descriptor: | 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, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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4ZNE
| IgG1 Fc-FcgammaRI ecd complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Oganesyan, V.Y, Dall'Acqua, W.F. | Deposit date: | 2015-05-04 | Release date: | 2015-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural insights into the interaction of human IgG1 with Fc gamma RI: no direct role of glycans in binding. Acta Crystallogr.,Sect.D, 71, 2015
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6LJ9
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1VFQ
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8URV
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5YGI
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3BV2
| Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3BV3
| Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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7F9O
| PSI-NDH supercomplex of Barley | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2021-07-04 | Release date: | 2021-12-22 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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3RGU
| Structure of Fap-NRa at pH 5.0 | Descriptor: | Fimbriae-associated protein Fap1, alpha-D-glucopyranose | Authors: | Garnett, J.A, Matthews, S.J. | Deposit date: | 2011-04-09 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formation. Biochem.Biophys.Res.Commun., 417, 2012
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