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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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3PPZ
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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
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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
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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
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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
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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
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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
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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
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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
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