3C79
 
 | | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | | Deposit date: | 2008-02-06 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5Z5H
 | | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose | | Descriptor: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose | | Authors: | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | | Deposit date: | 2018-01-18 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08.
PLoS ONE, 13, 2018
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3RUO
 | | Complex structure of HevB EV93 main protease 3C with Rupintrivir (AG7088) | | Descriptor: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, CHLORIDE ION, HEVB EV93 3C PROTEASE, ... | | Authors: | Kaczmarska, Z, Janowski, R, Costenaro, L, Coutard, B, Norder, H, Canard, B, Coll, M. | | Deposit date: | 2011-05-05 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for Antiviral Inhibition of the Main Protease, 3C, from Human Enterovirus 93.
J.Virol., 85, 2011
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8PXT
 | | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Jensen, M, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2023-07-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
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1A8A
 | | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE | | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE | | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | | Deposit date: | 1998-03-23 | | Release date: | 1998-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
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5Z19
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8PVS
 | | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,3-galactosidase B, CALCIUM ION, ... | | Authors: | Jensen, M, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2023-07-18 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
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5Z3D
 | | Glycosidase F290Y | | Descriptor: | CITRIC ACID, 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: | 2022-02-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
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7Z57
 | | Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate) | | Descriptor: | (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, ... | | Authors: | Liberi, S, Moro, G, Vascon, F, Linciano, S, De Toni, L, Angelin, A, Cendron, L. | | Deposit date: | 2022-03-08 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds.
Chem.Res.Toxicol., 35, 2022
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5ZC2
 | | Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH), reductase component (C1) | | Descriptor: | FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, reductase component | | Authors: | Yuenyao, A, Petchyam, N, Chaiyen, P, Pakotiprapha, D. | | Deposit date: | 2018-02-14 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.898 Å) | | Cite: | Crystal structure of the flavin reductase of Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH) and identification of amino acid residues underlying its regulation by aromatic ligands
Arch. Biochem. Biophys., 653, 2018
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7Z6C
 | | Crystal structure of human Dihydroorotate Dehydrogenase in complex with the inhibitor 2-Hydroxy-N-(2-ispropyl-5-methyl-4-phenoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide. | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Alberti, M, Lolli, M.L, Boschi, D, Sainas, S, Rizzi, M, Ferraris, D.M, Miggiano, R. | | Deposit date: | 2022-03-11 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2-Hydroxypyrazolo[1,5- a ]pyridine Scaffold: SAR of the Aryloxyaryl Moiety.
J.Med.Chem., 65, 2022
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1A8B
 | | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE | | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE | | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | | Deposit date: | 1998-03-23 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
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5D40
 | | Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE | | Descriptor: | CHLORIDE ION, GLYCEROL, P450-like protein, ... | | Authors: | Cahn, J.K.B, Dodani, S.C, Arnold, F.H. | | Deposit date: | 2015-08-06 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
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7KH5
 | | Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid | | Descriptor: | 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid, Lysozyme C | | Authors: | Truong, J, Nguyen, S. | | Deposit date: | 2020-10-20 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-19 | | Method: | X-RAY DIFFRACTION (1.295 Å) | | Cite: | Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid.
Acta Crystallogr.,Sect.F, 77, 2021
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1RQA
 | | Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Beta W73E hemoglobin exposed to NO under anaerobic conditions | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ... | | Authors: | Chan, N.-L, Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2003-12-04 | | Release date: | 2005-01-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin.
Biochemistry, 43, 2004
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8ECG
 | | Complex of HMG1 with pitavastatin | | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | Authors: | Haywood, J, Bond, C.S. | | Deposit date: | 2022-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
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5ZFB
 | | Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form) | | Descriptor: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | | Deposit date: | 2018-03-02 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
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6UEZ
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5ZFM
 | | Ketoreductase LbCR mutant - M6 | | Descriptor: | 3-oxoacyl-acyl carrier protein reductase | | Authors: | Gong, X.M, Zheng, G.W, Xu, J.H. | | Deposit date: | 2018-03-06 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor
Acs Catalysis, 9, 2019
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3S8V
 | | Crystal structure of LRP6-Dkk1 complex | | Descriptor: | Dickkopf-related protein 1, Low-density lipoprotein receptor-related protein 6 | | Authors: | Cheng, Z, Xu, W. | | Deposit date: | 2011-05-31 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of the extracellular domain of LRP6 and its complex with DKK1.
Nat.Struct.Mol.Biol., 18, 2011
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1TF4
 | | ENDO/EXOCELLULASE FROM THERMOMONOSPORA | | Descriptor: | CALCIUM ION, T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN | | Authors: | Sakon, J, Wilson, D.B, Karplus, P.A. | | Deposit date: | 1997-05-30 | | Release date: | 1997-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca.
Nat.Struct.Biol., 4, 1997
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5V7G
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADPH and oxalate | | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Shabalin, I.G, Mason, D.V, Handing, K.B, Kutner, J, Matelska, D, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-03-20 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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5NEM
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7YP3
 | | Crystal structure of elaiophylin glycosyltransferase in complex with elaiophylin | | Descriptor: | ACETATE ION, Elaiophylin, GLYCEROL, ... | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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3OW8
 | | Crystal Structure of the WD repeat-containing protein 61 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 61 | | Authors: | Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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