7RKC
 
 | | Computationally designed tunable C2 symmetric tandem repeat homodimer, D_3_633 | | Descriptor: | ACETATE ION, D_3_633 | | Authors: | Kennedy, M.A, Stoddard, B.L, Hicks, D.R, Bera, A.K. | | Deposit date: | 2021-07-22 | | Release date: | 2022-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7R1K
 | | Phosphorylated Bacillus pumilus Lipase A | | Descriptor: | DIETHYL PHOSPHONATE, Lipase, OXALOACETATE ION | | Authors: | Lund, B.A. | | Deposit date: | 2022-02-03 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and Mechanism of a Cold-Adapted Bacterial Lipase
Biochemistry, 61, 2022
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3OW4
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6ONX
 | | Dehaloperoxidase B in complex with substrate 4-Br-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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4Y68
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6MG5
 | | Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1 | | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION | | Authors: | Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2018-09-12 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8B6V
 | | Mp2Ba1 pre-pore | | Descriptor: | MAGNESIUM ION, Mpf2Ba1 | | Authors: | Marini, G, Poland, B, Leininger, C, Lukoyanova, N, Spielbauer, D, Barry, J, Altier, D, Lum, A, Scolaro, E, Perez Ortega, C, Yalpani, N, Sandahl, G, Mabry, T, Klever, J, Nowatzki, T, Zhao, J.Z, Sethi, A, Kassa, A, Crane, V, Lu, A, Nelson, M.E, Eswar, N, Topf, M, Saibil, H.R. | | Deposit date: | 2022-09-27 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural journey of an insecticidal protein against western corn rootworm.
Nat Commun, 14, 2023
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6XQ9
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13 | | Descriptor: | 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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6CQW
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | | Descriptor: | 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.278 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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7WKZ
 | | Crystal structure of the HSA complex with mycophenolate and aripiprazole | | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYCOPHENOLIC ACID, Serum albumin | | Authors: | Kawai, A, Yamasaki, K. | | Deposit date: | 2022-01-12 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.992 Å) | | Cite: | Structural Basis of the Change in the Interaction Between Mycophenolic Acid and Subdomain IIA of Human Serum Albumin During Renal Failure.
J.Med.Chem., 66, 2023
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6CQX
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 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, ... | | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | Deposit date: | 2018-03-16 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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6OSK
 | | RF1 accommodated 70S complex at 60 ms | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | | Deposit date: | 2019-05-01 | | Release date: | 2019-06-26 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
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4QOG
 | | Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | | Deposit date: | 2014-06-20 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A
To be Published
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3BB6
 | | Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596 | | Descriptor: | Uncharacterized protein yeaR, ZINC ION | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-09 | | Release date: | 2007-11-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-Ray structure of the P64488 from E.coli (strain K12).
To be Published
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3ZM3
 | | Catalytic domain of human SHP2 | | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11 | | Authors: | Bohm, K, Schuetz, A, Roske, Y, Heinemann, U. | | Deposit date: | 2013-02-04 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
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6H1B
 | | Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans | | Descriptor: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase | | Authors: | Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G. | | Deposit date: | 2018-07-11 | | Release date: | 2018-09-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Broad Aryl Acid Specificity of the Amide Bond Synthetase McbA Suggests Potential for the Biocatalytic Synthesis of Amides.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5NEU
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1OYS
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6H47
 | | Human KRAS in complex with darpin K19 | | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | | Deposit date: | 2018-07-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe.
Nat Commun, 10, 2019
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1LVK
 | | X-RAY CRYSTAL STRUCTURE OF THE MG (DOT) 2'(3')-O-(N-METHYLANTHRANILOYL) NUCLEOTIDE BOUND TO DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN | | Descriptor: | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Bauer, C.B, Kuhlman, P.A, Bagshaw, C.R, Rayment, I. | | Deposit date: | 1997-09-05 | | Release date: | 1998-01-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystal structure and solution fluorescence characterization of Mg.2'(3')-O-(N-methylanthraniloyl) nucleotides bound to the Dictyostelium discoideum myosin motor domain.
J.Mol.Biol., 274, 1997
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1M4H
 | | Crystal Structure of Beta-secretase complexed with Inhibitor OM00-3 | | Descriptor: | Inhibitor OM00-3, beta-Secretase | | Authors: | Hong, L, Turner, R.T, Koelsch, G, Ghosh, A.K, Tang, J. | | Deposit date: | 2002-07-02 | | Release date: | 2002-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Memapsin 2 (beta-Secretase) in Complex with Inhibitor OM00-3
Biochemistry, 41, 2002
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4Y9A
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5N29
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8DLC
 | | Crystal structure of chalcone-isomerase like protein from Vitis vinifera (VvCHIL) | | Descriptor: | Chalcone-flavonone isomerase family protein | | Authors: | Wolf Saxon, E, Moorman, C, Castro, A, Ruiz, A, Mallari, J.P, Burke, J.R. | | Deposit date: | 2022-07-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Regulatory ligand binding in plant chalcone isomerase-like (CHIL) proteins.
J.Biol.Chem., 299, 2023
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2VSP
 | | Crystal structure of the fourth PDZ domain of PDZ domain-containing protein 1 | | Descriptor: | PDZ DOMAIN-CONTAINING PROTEIN 1 | | Authors: | Yue, W.W, Shafqat, N, Pilka, E.S, Johansson, C, Murray, J.W, Elkins, J, Roos, A, Cooper, C, Phillips, C, Salah, E, von Delft, F, Doyle, D, Edwards, A, Wikstrom, M, Arrowsmith, C, Bountra, C, Oppermann, U. | | Deposit date: | 2008-04-28 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
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