7W2X
| Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116. Catalysts, 12, 2022
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6AP7
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7QGL
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3IHG
| Crystal structure of a ternary complex of aklavinone-11 hydroxylase with FAD and aklavinone | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, RdmE, SULFATE ION, ... | Authors: | Lindqvist, Y, Koskiniemi, H, Jansson, A, Sandalova, T, Schneider, G. | Deposit date: | 2009-07-30 | Release date: | 2009-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural basis for substrate recognition and specificity in aklavinone-11-hydroxylase from rhodomycin biosynthesis. J.Mol.Biol., 393, 2009
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7W2V
| Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | Deposit date: | 2021-11-24 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116. Catalysts, 12, 2022
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3FE0
| X-ray crystal structure of wild type human lysozyme in D2O | Descriptor: | Lysozyme C | Authors: | Chiba-Kamoshida, K, Matsui, T, Chatake, T, Ohhara, T, Ostermann, A, Tanaka, I, Yutani, K, Niimura, N. | Deposit date: | 2008-11-27 | Release date: | 2009-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Site-specific softening of peptide bonds by localized deuterium observed by neutron crystallography of human lysozyme hydrogen To be Published
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4LH3
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5WAB
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4Q3S
| Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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3FG2
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7QGO
| Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III) | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | Authors: | Strater, N. | Deposit date: | 2021-12-09 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors. J.Med.Chem., 65, 2022
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3FGC
| Crystal Structure of the Bacterial Luciferase:Flavin Complex Reveals the Basis of Intersubunit Communication | Descriptor: | Alkanal monooxygenase alpha chain, Alkanal monooxygenase beta chain, FLAVIN MONONUCLEOTIDE, ... | Authors: | Campbell, Z.T, Weichsel, A, Montfort, W.R, Baldwin, T.O. | Deposit date: | 2008-12-05 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the bacterial luciferase/flavin complex provides insight into the function of the beta subunit. Biochemistry, 48, 2009
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6H1A
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7QGA
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6H1L
| Structure of the BM3 heme domain in complex with tioconazole | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
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6EZ2
| Human butyrylcholinesterase carbamylated. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | Deposit date: | 2017-11-14 | Release date: | 2018-12-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model. Commun Chem, 2019
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6H1Z
| AFGH61B WILD-TYPE | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N. | Deposit date: | 2018-07-12 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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5YQA
| The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid | Descriptor: | 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. | Deposit date: | 2017-11-06 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid To Be Published
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2UWH
| Cytochrome P450 BM3 mutant in complex with palmitic acid | Descriptor: | BIFUNCTIONAL P-450: NADPH-P450 REDUCTASE, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Huang, W.-C, Joyce, M.G, Westlake, A.C.G, Roberts, G.C.K, Moody, P.C.E. | Deposit date: | 2007-03-21 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Filling a Hole in Cytochrome P450 Bm3 Improves Substrate Binding and Catalytic Efficiency. J.Mol.Biol., 373, 2007
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2USH
| 5'-NUCLEOTIDASE FROM E. COLI | Descriptor: | 5'-NUCLEOTIDASE, TUNGSTATE(VI)ION, ZINC ION | Authors: | Knofel, T, Strater, N. | Deposit date: | 1998-09-24 | Release date: | 1999-06-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | X-ray structure of the Escherichia coli periplasmic 5'-nucleotidase containing a dimetal catalytic site. Nat.Struct.Biol., 6, 1999
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2UVK
| Structure of YjhT | Descriptor: | YJHT | Authors: | Muller, A, Severi, E, Wilson, K.S, Thomas, G.H. | Deposit date: | 2007-03-12 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht. J.Biol.Chem., 283, 2008
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6H6G
| Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region | Descriptor: | TcdB2,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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6F23
| Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | Descriptor: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | Authors: | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | Deposit date: | 2017-11-23 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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7QSD
| Bovine complex I in the active state at 3.1 A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-03-02 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7Q86
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