4ITN
| Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 angstrom resolution | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1912 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
|
|
4N99
| E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
|
|
3PVG
| Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68) | Descriptor: | (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2010-12-07 | Release date: | 2010-12-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
|
|
3D7J
| SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor | Descriptor: | CHLORIDE ION, SODIUM ION, Uncharacterized protein SCO6650 | Authors: | Spoonamore, J.E, Roberts, S.A, Heroux, A, Bandarian, V. | Deposit date: | 2008-05-21 | Release date: | 2008-10-21 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor. Acta Crystallogr.,Sect.F, 64, 2008
|
|
7QYD
| mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Ba | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-01-28 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
|
|
4B4V
| Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | Deposit date: | 2012-08-01 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
|
|
3C07
| Crystal structure of a TetR family transcriptional regulator from Streptomyces coelicolor A3(2) | Descriptor: | Putative tetR-family transcriptional regulator, SULFATE ION | Authors: | Tan, K, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-01-18 | Release date: | 2008-02-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of a TetR family transcriptional regulator from Streptomyces coelicolor A3(2). To be Published
|
|
4OVH
| E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
|
|
3HPH
| Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | Descriptor: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | Authors: | Hare, S, Wang, J, Cherepanov, P. | Deposit date: | 2009-06-04 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for functional tetramerization of lentiviral integrase Plos Pathog., 5, 2009
|
|
8JTA
| Human VMAT2 complex with tetrabenazine | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
|
|
4RWA
| Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-01 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
|
|
4RWD
| XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-02 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
|
|
4ITM
| Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1994 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
|
|
4JNY
| |
5IYE
| Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3'), ZINC ION | Authors: | Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N. | Deposit date: | 2016-03-24 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution. Nucleosides Nucleotides Nucleic Acids, 36, 2017
|
|
5IYG
| |
5IYJ
| |
4N00
| Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS | Descriptor: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-09-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system. J.Med.Chem., 57, 2014
|
|
3HZQ
| |
4A5O
| Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) | Descriptor: | BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N. | Deposit date: | 2011-10-26 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target. Plos One, 7, 2012
|
|
3FYG
| CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME | Authors: | Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L. | Deposit date: | 1997-08-07 | Release date: | 1999-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine. J.Mol.Biol., 281, 1998
|
|
5Y6U
| |
3B6C
| |
4JNZ
| |
7F2R
| Crystal structure of VinK-VinL covalent complex formed with a pantetheineamide cross-linking probe | Descriptor: | Acyl-carrier-protein, Malonyl-CoA-[acyl-carrier-protein] transacylase, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Miyanaga, A, Ouchi, R, Kudo, F, Eguchi, T. | Deposit date: | 2021-06-14 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Complex structure of the acyltransferase VinK and the carrier protein VinL with a pantetheine cross-linking probe. Acta Crystallogr.,Sect.F, 77, 2021
|
|