5V27
| 2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Dornevil, K, Liu, F, Liu, A. | Deposit date: | 2017-03-02 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | 2.35 angstrom crystal structure of P97V 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans To Be Published
|
|
8FTC
| Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2023-01-11 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism. Acs Bio Med Chem Au, 3, 2023
|
|
5V28
| 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Dornevil, K, Liu, F, Liu, A. | Deposit date: | 2017-03-02 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.724 Å) | Cite: | 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus metallidurans To Be Published
|
|
1YIQ
| Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism. | Descriptor: | CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ... | Authors: | Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S. | Deposit date: | 2005-01-12 | Release date: | 2005-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5 J.Mol.Biol., 352, 2005
|
|
4JKN
| Mercury Metallated Pseudomonas aeruginosa Azurin at 1.54 A | Descriptor: | Azurin, MERCURY (II) ION, NITRATE ION, ... | Authors: | Zampino, A.P, Masters, F.M, Bladholm, E.L, Berry, S.B, Panzner, M.J, Ziegler, C.J. | Deposit date: | 2013-03-10 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.536 Å) | Cite: | Mercury metallation of the copper protein azurin and structural insight into possible heavy metal reactivity. J.Inorg.Biochem., 141, 2014
|
|
8FRW
| Full-length mouse 5-HT3A receptor in complex with ALB148471, pre-activated | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-09 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8FRX
| Full-length mouse 5-HT3A receptor in complex with SMP100, pre-activated | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-09 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
8FSZ
| Full-length mouse 5-HT3A receptor in complex with ALB148471, open-like | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one, 5-hydroxytryptamine receptor 3A | Authors: | Felt, K.C, Chakrapani, S. | Deposit date: | 2023-01-11 | Release date: | 2023-12-27 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Structural basis for partial agonism in 5-HT 3A receptors. Nat.Struct.Mol.Biol., 31, 2024
|
|
4GUV
| TetX derivatized with Xenon | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein, ... | Authors: | Volkers, G, Palm, G.J, Panjikar, S, Hinrichs, W. | Deposit date: | 2012-08-29 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX. Acta Crystallogr.,Sect.D, 69, 2013
|
|
7RML
| Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD | Descriptor: | 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pederick, J.L, Wegener, K.L, Salaemae, W, Bruning, J.B. | Deposit date: | 2021-07-27 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase. Protein Sci., 32, 2023
|
|
4GYD
| Nostoc sp Cytochrome c6 | Descriptor: | Cytochrome c6, HEME C | Authors: | Skubak, P, Ubbink, M, Cavazzini, D, Rossi, G.L, Pannu, N.S. | Deposit date: | 2012-09-05 | Release date: | 2013-09-11 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy Biochim.Biophys.Acta, 1837, 2014
|
|
3P5B
| The structure of the LDLR/PCSK9 complex reveals the receptor in an extended conformation | Descriptor: | CALCIUM ION, Low density lipoprotein receptor variant, Proprotein convertase subtilisin/kexin type 9 | Authors: | Lo Surdo, P, Bottomley, M.J, Calzetta, A, Settembre, E.C, Cirillo, A, Pandit, S, Ni, Y, Hubbard, B, Sitlani, A, Carfi, A. | Deposit date: | 2010-10-08 | Release date: | 2011-10-26 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanistic implications for LDL receptor degradation from the PCSK9/LDLR structure at neutral pH. Embo Rep., 12, 2011
|
|
4H0Z
| Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl muramic acid at 2.0 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-muramic acid, rRNA N-glycosidase | Authors: | Singh, A, Pandey, S, Kushwaha, G.S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-09-10 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl muramic acid at 2.0 Angstrom resolution TO BE PUBLISHED
|
|
3OS1
| PFV target capture complex (TCC) at 2.97 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*(2DA))-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
|
|
5T72
| Human carboanhydrase F131C_C206S double mutant in complex with 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
|
|
3SNL
| Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | Descriptor: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | Authors: | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | Deposit date: | 2011-06-29 | Release date: | 2011-10-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors. J.Med.Chem., 54, 2011
|
|
3PPZ
| |
1OC9
| TRYPAREDOXIN II FROM C.FASCICULATA solved by MR | Descriptor: | TRYPAREDOXIN II | Authors: | Leonard, G.A, Micossi, E, Hunter, W.N. | Deposit date: | 2003-02-07 | Release date: | 2003-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
|
|
8C5J
| Spatial structure of Lch-alpha peptide from two-component lantibiotic system Lichenicidin VK21 | Descriptor: | Lantibiotic lichenicidin VK21 A1 | Authors: | Mineev, K.S, Paramonov, A.S, Arseniev, A.S, Ovchinnikova, T.V, Shenkarev, Z.O. | Deposit date: | 2023-01-09 | Release date: | 2023-03-22 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Specific Binding of the alpha-Component of the Lantibiotic Lichenicidin to the Peptidoglycan Precursor Lipid II Predetermines Its Antimicrobial Activity. Int J Mol Sci, 24, 2023
|
|
1O8X
| Mutant tryparedoxin-I Cys43Ala | Descriptor: | TRYPAREDOXIN | Authors: | Alphey, M.S, Bond, C.S, Hunter, W.N. | Deposit date: | 2002-12-09 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
|
|
3GS0
| Human transthyretin (TTR) complexed with (S)-3-(9H-fluoren-9-ylideneaminooxy)-2-methylpropanoic acid (inhibitor 16) | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-26 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
|
|
1LA8
| Solution structure of the DNA hairpin 13-mer CGCGGTGTCCGCG | Descriptor: | 5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3' | Authors: | Weisenseel, J.P, Reddy, G.R, Marnett, L.J, Stone, M.P. | Deposit date: | 2002-03-28 | Release date: | 2002-04-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the 1,N(2)-propanodeoxyguanosine adduct in a three-base DNA hairpin loop derived from a palindrome in the Salmonella typhimurium hisD3052 gene. Chem.Res.Toxicol., 15, 2002
|
|
1H1D
| Catechol O-Methyltransferase | Descriptor: | 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE, CATECHOL-O-METHYLTRANSFERASE, MAGNESIUM ION, ... | Authors: | Archer, M, Rodrigues, M.L, Matias, P.M, Bonifacio, M.J, Learmonth, D.A, Soares-da-Silva, P, Carrondo, M.A. | Deposit date: | 2002-07-12 | Release date: | 2003-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetics and Crystal Structure of Catechol-O-Methyltransferase Complex with Co-Substrate and a Novel Inhibitor with Potential Therapeutic Application Mol.Pharmacol., 62, 2002
|
|
5VII
| Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-(3-fluoropropyl)phenyl-ACEPC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2R)-2-amino-2-carboxyethyl]-1-[4-(3-fluoropropyl)phenyl]-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. | Deposit date: | 2017-04-16 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
3HSW
| Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-methoxycyclohexa-2-5-diene-1,4-dione | Descriptor: | 2-methoxycyclohexa-2,5-diene-1,4-dione, CALCIUM ION, Phospholipase A2, ... | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | Deposit date: | 2009-06-11 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of porcine pancreatic phospholipase A2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione Frontiers in life sci., 2012
|
|