3CD7
| Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
|
|
7P84
| Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-21 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
|
|
3CDB
| Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
|
|
7P8M
| Crystal structure of L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii in complex with DMNB-SAM (4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine) | Descriptor: | 4,5-dimethoxy-2-nitro benzyme S-adenosyl-methionine, MAGNESIUM ION, S-adenosylmethionine synthase, ... | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-23 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
|
|
2QJ9
| Crystal structure analysis of BMP-2 in complex with BMPR-IA variant B1 | Descriptor: | Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2007-07-06 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. J.Biol.Chem., 283, 2008
|
|
7P82
| Crystal structure of apo form L147A/I351A variant of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii | Descriptor: | S-adenosylmethionine synthase | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-21 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.042 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
|
|
4M07
| Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, GLYCEROL, ... | Authors: | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
|
|
7P83
| Crystal structure of Apo form of S-adenosylmethionine synthetase from Methanocaldococcus jannaschii | Descriptor: | S-adenosylmethionine synthase | Authors: | Herrmann, E, Peters, A, Cornelissen, N.V, Rentmeister, A, Kuemmel, D. | Deposit date: | 2021-07-21 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.218 Å) | Cite: | Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. Chembiochem, 23, 2022
|
|
2QJA
| Crystal structure analysis of BMP-2 in complex with BMPR-IA variant B12 | Descriptor: | Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2007-07-06 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. J.Biol.Chem., 283, 2008
|
|
3SZO
| IspH:HMBPP complex after 3 minutes X-ray pre-exposure | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-19 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
|
|
3CMS
| ENGINEERING ENZYME SUB-SITE SPECIFICITY: PREPARATION, KINETIC CHARACTERIZATION AND X-RAY ANALYSIS AT 2.0-ANGSTROMS RESOLUTION OF VAL111PHE SITE-MUTATED CALF CHYMOSIN | Descriptor: | CHYMOSIN B | Authors: | Newman, M, Frazao, C, Shearer, A, Tickle, I.J, Blundell, T.L. | Deposit date: | 1990-02-26 | Release date: | 1992-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering enzyme subsite specificity: preparation, kinetic characterization, and X-ray analysis at 2.0-A resolution of Val111Phe site-mutated calf chymosin. Biochemistry, 29, 1990
|
|
6DMI
| A multiconformer ligand model of 5T5 bound to BACE-1 | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
|
|
2QJB
| Crystal structure analysis of BMP-2 in complex with BMPR-IA variant IA/IB | Descriptor: | Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA, CHLORIDE ION | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2007-07-06 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. J.Biol.Chem., 283, 2008
|
|
4M05
| Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii R173E | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Chlorite dismutase, ... | Authors: | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
|
|
6DMH
| A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | Deposit date: | 2018-06-05 | Release date: | 2018-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
|
|
5X2M
| Crystal structure of the medaka fish taste receptor T1r2a-T1r3 ligand binding domains in complex with L-glutamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Nuemket, N, Yasui, N, Atsumi, N, Yamashita, A. | Deposit date: | 2017-02-02 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structural basis for perception of diverse chemical substances by T1r taste receptors Nat Commun, 8, 2017
|
|
5W78
| Human acyloxyacyl hydrolase (AOAH), proteolytically processed | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acyloxyacyl hydrolase, CALCIUM ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8U0Z
| CRYSTAL STRUCTURE OF THE OROTIDINE 5'-MONOPHOSPHATE DECARBOXYLASE DOMAIN OF Coffea arabica UMP SYNTHASE | Descriptor: | 1,2-ETHANEDIOL, ANY 5'-MONOPHOSPHATE NUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hinojosa-Cruz, A, Diaz-Vilchis, A, Gonzalez-Segura, L. | Deposit date: | 2023-08-29 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Structural and functional properties of uridine 5'-monophosphate synthase from Coffea arabica. Int.J.Biol.Macromol., 259, 2024
|
|
5W7A
| Rabbit acyloxyacyl hydrolase (AOAH), proteolytically processed, S262A mutant, with LPS (low quality saposin domain) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5WUY
| Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | Descriptor: | Chorismate synthase | Authors: | Iqbal, N, Chaudhary, A, Shukla, K.P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-01-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution To Be Published
|
|
5W7D
| Murine acyloxyacyl hydrolase (AOAH), S262A mutant | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2017-06-19 | Release date: | 2018-01-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5W7J
| X-ray structure of the E89A variant of ankyrin repeat domain of DHHC17 in complex with Snap25b peptide | Descriptor: | Palmitoyltransferase ZDHHC17, Snap25b-111-120 | Authors: | Verardi, R, Kim, J.-S, Ghirlando, R, Banerjee, A. | Deposit date: | 2017-06-20 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural Basis for Substrate Recognition by the Ankyrin Repeat Domain of Human DHHC17 Palmitoyltransferase. Structure, 25, 2017
|
|
5WBF
| Double CACHE (dCACHE) sensing domain of TlpC chemoreceptor from Helicobacter pylori | Descriptor: | GLYCEROL, LACTIC ACID, Methyl-accepting chemotaxis transducer (TlpC) | Authors: | Machuca, M.A, Johnson, K.S, Liu, Y.C, Steer, D.L, Ottemann, K.M, Roujeinikova, A. | Deposit date: | 2017-06-28 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Helicobacter pylori chemoreceptor TlpC mediates chemotaxis to lactate. Sci Rep, 7, 2017
|
|
2FEN
| 3-carboxy-cis,cis-muconate lactonizing enzyme from Agrobacterium radiobacter S2 | Descriptor: | 3-carboxy-cis,cis-muconate lactonizing enzyme, CHLORIDE ION, SULFATE ION | Authors: | Lehtio, L, Goldman, A. | Deposit date: | 2005-12-16 | Release date: | 2006-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of the 3-carboxy-cis,cis-muconate lactonizing enzyme from the protocatechuate degradative pathway of Agrobacterium radiobacter S2. Febs J., 273, 2006
|
|
5WMV
| Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
|
|