5OL6
| |
8IOO
| |
5OL5
| Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
|
|
8I7U
| |
5OL7
| |
1QGE
| NEW CRYSTAL FORM OF PSEUDOMONAS GLUMAE (FORMERLY CHROMOBACTERIUM VISCOSUM ATCC 6918) LIPASE | Descriptor: | CALCIUM ION, PROTEIN (TRIACYLGLYCEROL HYDROLASE) | Authors: | Lang, D.A, Stadler, P, Kovacs, A, Paltauf, F, Dijkstra, B.W. | Deposit date: | 1999-04-27 | Release date: | 1999-05-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Kinetic Investigations of Enantiomeric Binding Mode of Subclass I Lipases from the Family of Pseudomonadaceae To be Published
|
|
3G1N
| Catalytic domain of the human E3 ubiquitin-protein ligase HUWE1 | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SODIUM ION | Authors: | Walker, J.R, Qiu, L, Li, Y, Davis, T, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-30 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Hect Domain of Human HUWE1/MULE To be Published
|
|
1TF1
| Crystal Structure of the E. coli Glyoxylate Regulatory Protein Ligand Binding Domain | Descriptor: | Negative regulator of allantoin and glyoxylate utilization operons | Authors: | Walker, J.R, Skarina, T, Kudrytska, M, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-05-26 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and biochemical study of effector molecule recognition by the E.coli glyoxylate and allantoin utilization regulatory protein AllR. J.Mol.Biol., 358, 2006
|
|
1H2Z
| |
3DB4
| Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1, SULFATE ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-30 | Release date: | 2008-09-16 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein. J.Biol.Chem., 286, 2011
|
|
6I0B
| Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F. | Deposit date: | 2018-10-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
|
|
2KNB
| Solution NMR structure of the parkin Ubl domain in complex with the endophilin-A1 SH3 domain | Descriptor: | E3 ubiquitin-protein ligase parkin, Endophilin-A1 | Authors: | Trempe, J, Guennadi, K, Edna, C.M, Kalle, G. | Deposit date: | 2009-08-20 | Release date: | 2009-12-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | SH3 domains from a subset of BAR proteins define a Ubl-binding domain and implicate parkin in synaptic ubiquitination. Mol.Cell, 36, 2009
|
|
1QSI
| MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), ... | Authors: | Miyazaki, G, Morimoto, H, Yun, K.-M, Park, S.-Y, Nakagawa, A, Minagawa, H, Shibayama, N. | Deposit date: | 1999-06-22 | Release date: | 1999-07-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Magnesium(II) and zinc(II)-protoporphyrin IX's stabilize the lowest oxygen affinity state of human hemoglobin even more strongly than deoxyheme. J.Mol.Biol., 292, 1999
|
|
2M3O
| Structure and dynamics of a human Nedd4 WW domain-ENaC complex | Descriptor: | Amiloride-sensitive sodium channel subunit alpha, E3 ubiquitin-protein ligase NEDD4 | Authors: | Bobby, R, Medini, K, Neudecker, P, Lee, V, MacDonald, F.J, Brimble, M.A, Lott, J, Dingley, A.J. | Deposit date: | 2013-01-23 | Release date: | 2013-08-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of human Nedd4-1 WW3 in complex with the alpha ENaC PY motif. Biochim.Biophys.Acta, 1834, 2013
|
|
1H30
| C-terminal LG domain pair of human Gas6 | Descriptor: | CALCIUM ION, GROWTH-ARREST-SPECIFIC PROTEIN, SULFATE ION | Authors: | Sasaki, T, Knyazev, P.G, Cheburkin, Y, Gohring, W, Tisi, D, Ullrich, A, Timpl, R, Hohenester, E. | Deposit date: | 2002-08-21 | Release date: | 2003-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Carboxy-Terminal Fragment of Growth-Arrest-Specific Protein Gas6: Receptor Tyrosine Kinase Activation by Laminin G-Like Domains J.Biol.Chem., 277, 2002
|
|
2ACK
| ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | Authors: | Raves, M.L, Sussman, J.L, Harel, M, Silman, I. | Deposit date: | 1997-10-29 | Release date: | 1998-02-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Static Laue diffraction studies on acetylcholinesterase. Acta Crystallogr.,Sect.D, 54, 1998
|
|
7QEK
| Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA). | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria. Mbio, 14, 2023
|
|
6XZE
| crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-04 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
|
|
8ABS
| Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
|
|
7YCE
| KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
|
|
8R17
| Crystal structure of Neurospora crassa NADase with modified C-terminus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ... | Authors: | Kallio, J.P, Ferrario, E, Ziegler, M. | Deposit date: | 2023-11-01 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage. Protein Sci., 33, 2024
|
|
6XN8
| Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 | Descriptor: | 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. | Deposit date: | 2020-07-02 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 To Be Published
|
|
1WJX
| Crystal sturucture of TT0801 from Thermus thermophilus | Descriptor: | POTASSIUM ION, SsrA-binding protein | Authors: | Bessho, Y, Shibata, R, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-29 | Release date: | 2004-11-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for functional mimicry of long-variable-arm tRNA by transfer-messenger RNA. Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
6RMG
| Structure of PTCH1 bound to a modified Hedgehog ligand ShhN-C24II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Korkhov, V.M, Qi, C. | Deposit date: | 2019-05-06 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of sterol recognition by human hedgehog receptor PTCH1. Sci Adv, 5, 2019
|
|
6XZY
| crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
|
|