7YI9
 
 | | Cryo-EM structure of SAM-bound MTA1-MTA9-p1-p2 complex | | Descriptor: | MT-a70 family protein, MTA9, P1, ... | | Authors: | Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023
|
|
7YI8
 | | Cryo-EM structure of SAH-bound MTA1-MTA9-p1-p2 complex | | Descriptor: | MT-a70 family protein, MTA9, P1, ... | | Authors: | Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023
|
|
7YHL
 | |
7YGL
 | |
4G3Y
 | | Crystal structure of TNF-alpha in complex with Infliximab Fab fragment | | Descriptor: | Tumor necrosis factor, infliximab Fab H, infliximab Fab L | | Authors: | Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y. | | Deposit date: | 2012-07-15 | | Release date: | 2013-03-27 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab
J.Biol.Chem., 288, 2013
|
|
5ZH5
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-2 | | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | Deposit date: | 2018-03-11 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
|
|
7YGH
 | |
3FV4
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2009-01-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
|
|
3FVP
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2009-01-16 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Thermolysin inhibition
To be Published
|
|
4H57
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2012-09-18 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
5ZH4
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | Deposit date: | 2018-03-11 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
|
|
7LHG
 | | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapG in the first conformation | | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, P fimbria tip G-adhesin PapG-II, ... | | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | | Deposit date: | 2021-01-23 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis.
Nat Commun, 12, 2021
|
|
7LHH
 | | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapG in the second conformation | | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, P fimbria tip G-adhesin PapG-II, ... | | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | | Deposit date: | 2021-01-23 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis.
Nat Commun, 12, 2021
|
|
7LHI
 | | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapF-PapG | | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, Fimbrial protein, ... | | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | | Deposit date: | 2021-01-23 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis.
Nat Commun, 12, 2021
|
|
3LJJ
 | | Bovine trypsin in complex with UB-THR 10 | | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Wegscheid-Gerlach, C, Heine, A, Klebe, G. | | Deposit date: | 2010-01-26 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
|
|
5BXI
 | | 1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site | | Descriptor: | BICARBONATE ION, DI(HYDROXYETHYL)ETHER, Nucleoside diphosphate kinase | | Authors: | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-06-09 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
|
|
5ZH2
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5 | | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | Deposit date: | 2018-03-11 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
|
|
3DT0
 | | Understanding Thrombin Inhibition | | Descriptor: | Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding Thrombin Inhibition
To be Published
|
|
3DUX
 | | Understanding Thrombin Inhibition | | Descriptor: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-18 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
|
|
3DHK
 | | Bisphenylic Thrombin Inhibitors | | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-06-18 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
|
|
3DTS
 | |
3D49
 | | Thrombin Inhibition | | Descriptor: | BENZAMIDINE, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-05-14 | | Release date: | 2009-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding Thrombin Inhibition
To be Published
|
|
4GB9
 | | Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta | | Descriptor: | 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M. | | Deposit date: | 2012-07-26 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
|
|
3E53
 | |
3WB9
 | | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-05-14 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
|
|
