4Y9L
| Crystal Structure of Caenorhabditis elegans ACDH-11 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b | Authors: | Li, Z.J, Zhai, Y.J, Zhang, K, Sun, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids Cell, 161, 2015
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4YA2
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4NG8
| Dialyzed HEW lysozyme batch crystallized in 1.9 M CsCl and collected at 100 K. | Descriptor: | CESIUM ION, CHLORIDE ION, Lysozyme C | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-01 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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7OL7
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7OL8
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4ACG
| GSK3b in complex with inhibitor | Descriptor: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-15 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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7OL6
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7OJM
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-16 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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4NMJ
| Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ at 2 A resolution | Descriptor: | Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Petrova, T, Boyko, K.M, Bezsudnova, E.Y, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O. | Deposit date: | 2013-11-15 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ at 2 A resolution To be Published
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7OKZ
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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4YT0
| Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with 2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide. | Descriptor: | 2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-17 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.66 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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3ZZQ
| Engineered 12-subunit Bacillus subtilis trp RNA-binding attenuation protein (TRAP) | Descriptor: | TRANSCRIPTION ATTENUATION PROTEIN MTRB, TRYPTOPHAN | Authors: | Chen, C, Smits, C, Dodson, G.G, Shevtsov, M.B, Merlino, N, Gollnick, P, Antson, A.A. | Deposit date: | 2011-09-02 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | How to Change the Oligomeric State of a Circular Protein Assembly: Switch from 11-Subunit to 12-Subunit Trap Suggests a General Mechanism Plos One, 6, 2011
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4Y7X
| Yeast 20S proteasome in complex with Ac-PAA-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PPA-ep, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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7P7N
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4Y8K
| Yeast 20S proteasome in complex with H-APLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, H-APLL-ep, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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7P7O
| X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... | Authors: | Mazzei, L, Ciurli, S, Cianci, M, Messori, L, Massai, L. | Deposit date: | 2021-07-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition. Dalton Trans, 50, 2021
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4NU7
| 2.05 Angstrom Crystal Structure of Ribulose-phosphate 3-epimerase from Toxoplasma gondii. | Descriptor: | CHLORIDE ION, Ribulose-phosphate 3-epimerase, SULFATE ION, ... | Authors: | Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-03 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii . Front Cell Infect Microbiol, 8, 2018
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7OY9
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4NWH
| Lysozyme UNDER 30 BAR PRESSURE OF XENON | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Colloc'h, N, Prange, T. | Deposit date: | 2013-12-06 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
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4NYY
| Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 2 21 21 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Deacetylase DA1, ... | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | Deposit date: | 2013-12-11 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
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4X4Q
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4NXS
| Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | Descriptor: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Johnson, J.L, Drury, J.E, Lieberman, R.L. | Deposit date: | 2013-12-09 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5493 Å) | Cite: | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants. Acs Chem.Biol., 9, 2014
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4NCS
| Human sialidase 2 in complex with 2,3-difluorosialic acid (covalent intermediate) | Descriptor: | (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, PHOSPHATE ION, Sialidase-2 | Authors: | Buchini, S, Gallat, F.-X, Greig, I.R, Kim, J.-H, Wakatsuki, S, Chavas, L.M.G, Withers, S.G. | Deposit date: | 2013-10-25 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Tuning mechanism-based inactivators of neuraminidases: mechanistic and structural insights. Angew.Chem.Int.Ed.Engl., 53, 2014
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7OP6
| Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2021-05-29 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
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4NDG
| Human Aprataxin (Aptx) bound to RNA-DNA and Zn - adenosine vanadate transition state mimic complex | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3', 5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3', Aprataxin, ... | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | Deposit date: | 2013-10-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity. Nature, 506, 2013
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