8HEF
 
 | | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Yan, M, Zhang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
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2NMP
 | | Crystal structure of human Cystathionine gamma lyase | | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van-den-Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-23 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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5I9E
 | | Crystal structure of a nuclear actin ternary complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | | Authors: | Chen, Z, Cao, T. | | Deposit date: | 2016-02-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a nuclear actin ternary complex.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5UHT
 | | Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Liu, Y, Rose, J, Jiang, L, Zhou, P. | | Deposit date: | 2017-01-12 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
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4Z8I
 | | Crystal structure of Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | | Descriptor: | ZINC ION, peptidoglycan recognition protein 3 | | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Luo, M, Cao, D.D, Chi, C.B, Yang, H.B, Chen, Y, Zhou, C.Z. | | Deposit date: | 2015-04-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
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2R0U
 | | Crystal Structure of Chek1 in Complex with Inhibitor 54 | | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | | Authors: | Yan, Y, Ikuta, M. | | Deposit date: | 2007-08-21 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
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4R83
 | | Crystal structure of Sialyltransferase from Photobacterium damsela | | Descriptor: | CALCIUM ION, Sialyltransferase 0160 | | Authors: | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
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4R9V
 | | Crystal structure of sialyltransferase from photobacterium damselae, residues 113-497 corresponding to the gt-b domain | | Descriptor: | CALCIUM ION, Sialyltransferase 0160 | | Authors: | Li, Y, Huynh, N, Chen, X, Fisher, A.J. | | Deposit date: | 2014-09-08 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
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4R84
 | | Crystal structure of Sialyltransferase from Photobacterium damsela with CMP-3F(a)Neu5Ac bound | | Descriptor: | CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, Sialyltransferase 0160 | | Authors: | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | | Deposit date: | 2014-08-29 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
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6AZR
 | | Crystal structure of the T264A HK853cp-BeF3-RR468 complex | | Descriptor: | Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Rose, J, Zhou, P. | | Deposit date: | 2017-09-11 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.628 Å) | | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
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5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | Descriptor: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dong, S, Du, L, Li, S, Feng, Y. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5CRL
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1AKP
 | | SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN | | Descriptor: | APOKEDARCIDIN | | Authors: | Constantine, K.L, Colson, K.L, Wittekind, M, Friedrichs, M.S, Zein, N, Tuttle, J, Langley, D.R, Leet, J.E, Schroeder, D.R, Lam, K.S, Farmer II, B.T, Metzler, W.J, Bruccoleri, R.E, Mueller, L. | | Deposit date: | 1994-06-20 | | Release date: | 1994-08-31 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin.
Biochemistry, 33, 1994
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4GRB
 | | Casein kinase 2 (CK2) bound to inhibitor | | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | | Deposit date: | 2012-08-24 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
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1COU
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7XJP
 | | Cryo-EM structure of EDS1 and SAG101 with ATP-APDR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ... | | Authors: | Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J. | | Deposit date: | 2022-04-18 | | Release date: | 2022-07-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
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3V5Q
 | | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | | Authors: | Kreusch, A. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
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8IKX
 | | An Arabidopsis polygalacturonase PGLR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Xiao, Y, Chai, J. | | Deposit date: | 2023-03-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
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2M8T
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8IKW
 | | A complex structure of PGIP-PG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-polygalacturonase, ... | | Authors: | Xiao, Y, Chai, J. | | Deposit date: | 2023-03-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
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2OGP
 | | Solution structure of the second PDZ domain of Par-3 | | Descriptor: | Partitioning-defective 3 homolog | | Authors: | Feng, W, Wu, H, Chen, J, Chan, L.-N, Zhang, M. | | Deposit date: | 2007-01-07 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | PDZ domains of par-3 as potential phosphoinositide signaling integrators
Mol.Cell, 28, 2007
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7CCF
 | | Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 CreJ | | Descriptor: | (3-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dong, S, Du, L, Li, S.Y, Feng, Y.G. | | Deposit date: | 2020-06-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Selective Oxidation of Phosphorylated Ethylphenols by Cytochrome P450 Monooxygenase CreJ.
Appl.Environ.Microbiol., 87, 2021
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7CJS
 | | structure of aquaporin | | Descriptor: | Aquaporin NIP2-1, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Saitoh, Y, Ma, J.F, Suga, M. | | Deposit date: | 2020-07-13 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for high selectivity of a rice silicon channel Lsi1.
Nat Commun, 12, 2021
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7E34
 | | Crystal structure of SUN1-Speedy A-CDK2 | | Descriptor: | Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ... | | Authors: | Chen, Y, Huang, C, Wu, J, Lei, M. | | Deposit date: | 2021-02-08 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
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7WN2
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