4KEV
 
 | | Crystal structure of SsoPox W263L | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (II) ION | | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-02 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
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6IK8
 | | Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... | | Authors: | Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. | | Deposit date: | 2018-10-15 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
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3HVS
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3CZJ
 | | E. COLI (lacZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE | | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | | Authors: | Huber, R.E, Dugdale, M.L, Fraser, M.E, Tammam, S.D. | | Deposit date: | 2008-04-29 | | Release date: | 2009-04-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Practical Considerations When Using Temperature to Obtain Rate Constants and Activation Thermodynamics of Enzymes with Two Catalytic Steps: Native and N460T-beta-Galactosidase (E. coli) as Examples.
Protein J., 28, 2009
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6G72
 | | Mouse mitochondrial complex I in the deactive state | | Descriptor: | ACETYL GROUP, ADENOSINE-5'-DIPHOSPHATE, Acyl carrier protein, ... | | Authors: | Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J. | | Deposit date: | 2018-04-04 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
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6C7P
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2GC2
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2GDZ
 | | Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+ | | Descriptor: | NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
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6FSJ
 | | Crystal structure of TCE-treated Lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C | | Authors: | Pichlo, C, Baumann, U. | | Deposit date: | 2018-02-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6IH5
 | | Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide | | Descriptor: | Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Song, X, Feng, Y, Liu, Y, Zhao, Z. | | Deposit date: | 2018-09-28 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.468 Å) | | Cite: | Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
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6IMR
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IMZ
 | | Crystal structure of MTH1 in complex with 18-Crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ... | | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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4TNI
 | | RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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7RCV
 | | High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803 | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Gisriel, C.J, Brudvig, G.W. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-05 | | Method: | ELECTRON MICROSCOPY (2.01 Å) | | Cite: | High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7X1R
 | | Cryo-EM structure of human thioredoxin reductase bound by Au | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ... | | Authors: | He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y. | | Deposit date: | 2022-02-24 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189
Nano Today, 47, 2022
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2H7S
 | | L244A mutant of Cytochrome P450cam | | Descriptor: | Cytochrome P450-cam, HEME C | | Authors: | Verras, A, Alian, A, Montellano, P.R. | | Deposit date: | 2006-06-02 | | Release date: | 2006-10-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation.
Protein Eng.Des.Sel., 19, 2006
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5Z20
 | | The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | | Deposit date: | 2017-12-28 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018
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6BSN
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5Z3C
 | | Glycosidase E178A | | Descriptor: | GLYCEROL, Glycoside hydrolase 15-related protein | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2018-01-05 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
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6GBK
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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6C35
 | | Mycobacterium smegmatis flap endonuclease mutant D148N | | Descriptor: | 5'-3' exonuclease, MANGANESE (II) ION | | Authors: | Shuman, S, Goldgur, Y, Carl, A, Uson, M.L. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
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3FGE
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7RM9
 | | Human Malate Dehydrogenase I (MDHI) | | Descriptor: | MALONATE ION, Malate dehydrogenase, cytoplasmic | | Authors: | McCue, W, Finzel, B.C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-01-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Characterization of the Human Cytosolic Malate Dehydrogenase I.
Acs Omega, 7, 2022
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6C3J
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6IMB
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | | Authors: | Zhang, X, Su, H, Xu, Y. | | Deposit date: | 2018-10-22 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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