4I5P
 
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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5CQG
 | | Structure of Tribolium telomerase in complex with the highly specific inhibitor BIBR1532 | | Descriptor: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid, Telomerase reverse transcriptase | | Authors: | Bryan, C, Rice, C, Hoffman, H, Harkisheimer, M, Sweeney, M, Skordalakes, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Telomerase Inhibition by the Highly Specific BIBR1532.
Structure, 23, 2015
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4QRO
 | | CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL | | Descriptor: | 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ... | | Authors: | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C. | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL
To be Published
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2QGQ
 | | Crystal structure of TM_1862 from Thermotoga maritima. Northeast Structural Genomics Consortium target VR77 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Protein TM_1862 | | Authors: | Forouhar, F, Neely, H, Hussain, M, Seetharaman, J, Fang, Y, Chen, C.X, Cunningham, K, Conover, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-29 | | Release date: | 2007-07-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Post-translational Modification of Ribosomal Proteins: STRUCTURAL AND FUNCTIONAL CHARACTERIZATION OF RimO FROM THERMOTOGA MARITIMA, A RADICAL S-ADENOSYLMETHIONINE METHYLTHIOTRANSFERASE.
J.Biol.Chem., 285, 2010
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8RDK
 | | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | | Authors: | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-06 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8AC8
 | | The nucleoprotein complex of Rep protein with DUE ssDNA | | Descriptor: | DNA (5'-D(*AP*TP*TP*TP*TP*TP*AP*TP*A)-3'), Replication initiation protein | | Authors: | Nowacka, M, Wegrzyn, K, Oliwa, M, Konieczny, I. | | Deposit date: | 2022-07-05 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rep protein accommodates together dsDNA and ssDNA which enables a loop-back mechanism to plasmid DNA replication initiation.
Nucleic Acids Res., 51, 2023
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8J47
 | | CryoEM Structure of 40-Residue Arctic (E22G) Beta-Amyloid Fibril Derived by Co-Analysis with Solid-State NMR | E22G Abeta40 | | Descriptor: | E22G Amyloid-beta | | Authors: | Tehrani, M.J, Matsuda, I, Yamagata, A, Matsunaga, T, Sato, M, Toyooka, K, Shirouzu, M, Ishii, Y, Kodama, Y, McElheny, D, Kobayashi, N. | | Deposit date: | 2023-04-19 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | E22G A beta 40 fibril structure and kinetics illuminate how A beta 40 rather than A beta 42 triggers familial Alzheimer's.
Nat Commun, 15, 2024
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5D5F
 | | In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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7R1O
 | | p62-ZZ domain of the human sequestosome in complex with dusquetide | | Descriptor: | Dusquetide, Sequestosome-1, ZINC ION | | Authors: | Hakansson, M, Hansson, M, Logan, D.T, Rozek, A, Donini, O. | | Deposit date: | 2022-02-03 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Dusquetide modulates innate immune response through binding to p62.
Structure, 30, 2022
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6O6W
 | | Solution structure of human myeloid-derived growth factor | | Descriptor: | Myeloid-derived growth factor | | Authors: | Bortnov, V, Tonelli, M, Lee, W, Markley, J.L, Mosher, D.F. | | Deposit date: | 2019-03-07 | | Release date: | 2019-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum.
Nat Commun, 10, 2019
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7A02
 | | Bacillus endospore appendages form a novel family of disulfide-linked pili | | Descriptor: | DUF3992 domain-containing protein | | Authors: | Pradhan, B, Liedtke, J, Sleutel, M, Lindback, T, Llarena, A.K, Brynildsrud, O, Aspholm, M, Remaut, H. | | Deposit date: | 2020-08-06 | | Release date: | 2021-04-28 | | Last modified: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Endospore Appendages: a novel pilus superfamily from the endospores of pathogenic Bacilli.
Embo J., 40, 2021
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4I4R
 | | BEL beta-trefoil apo crystal form 4 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BEL-beta trefoil | | Authors: | Bovi, M, Cenci, L, Perduca, M, Capaldi, S, Carrizo, M.E, Civiero, L, Chiarelli, L.R, Galliano, M, Monaco, H.L. | | Deposit date: | 2012-11-28 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms.
Glycobiology, 23, 2013
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4NEC
 | | Conversion of a Disulfide Bond into a Thioacetal Group during Echinomycin Biosynthesis | | Descriptor: | 2-CARBOXYQUINOXALINE, ACETATE ION, Echinomycin, ... | | Authors: | Hotta, K, Keegan, R.M, Ranganathan, S, Fang, M, Bibby, J, Winn, M.D, Sato, M, Lian, M, Watanabe, K, Rigden, D.J, Kim, C.-Y. | | Deposit date: | 2013-10-29 | | Release date: | 2014-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conversion of a disulfide bond into a thioacetal group during echinomycin biosynthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5JUV
 | | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | | Deposit date: | 2016-05-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
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5D58
 | | In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5D
 | | In meso in situ serial X-ray crystallography structure of AlgE at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5MBA
 | | BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | | Deposit date: | 1991-01-14 | | Release date: | 1992-07-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution.
J.Mol.Recog., 4, 1991
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6EXR
 | | CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI | | Descriptor: | 120aa long hypothetical chemotaxis protein (CheY) | | Authors: | Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. | | Deposit date: | 2017-11-09 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation.
Acta Crystallogr.,Sect.F, 75, 2019
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8JPW
 | | Crystal Structure of Single-chain L-Glutamate Oxidase Mutant from Streptomyces sp. X-119-6 | | Descriptor: | 2-OXOGLUTARIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, ... | | Authors: | Yamaguchi, H, Takahashi, K, Tatsumi, M, Tagami, U, Mizukoshi, T, Miyano, H, Sugiki, M. | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Development of a novel single-chain l-glutamate oxidase from Streptomyces sp. X-119-6 by inserting flexible linkers.
Enzyme.Microb.Technol., 170, 2023
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8JPQ
 | | SARS-CoV-2 Mpro in complex with D-5-96 | | Descriptor: | 3C-like proteinase nsp5, ACY-ALA-ILE-V3E | | Authors: | Liu, M, Huang, H. | | Deposit date: | 2023-06-12 | | Release date: | 2023-08-23 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8AZK
 | | Bovine 20S proteasome, untreated | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Szenkier, N, Arie, M, Matzov, D, Sertchook, R, Carmeli, R, Cascio, P, Stanhill, A, Shalev Benami, M, Navon, A. | | Deposit date: | 2022-09-06 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Bovine 20S proteasome, untreated
To be published
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4NPX
 | | Structure of hypothetical protein Cj0539 from Campylobacter jejuni | | Descriptor: | Putative uncharacterized protein | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Adkins, J.N, Endres, M, Nissen, M, Konkel, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | | Deposit date: | 2013-11-22 | | Release date: | 2014-01-01 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of hypothetical protein Cj0539 from Campylobacter jejuni
To be Published
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2QMO
 | | Crystal structure of dethiobiotin synthetase (bioD) from Helicobacter pylori | | Descriptor: | CHLORIDE ION, Dethiobiotin synthetase | | Authors: | Chruszcz, M, Xu, X, Cuff, M, Cymborowski, M, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-16 | | Release date: | 2007-07-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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5UCJ
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5KC1
 | | Structure of the C-terminal dimerization domain of Atg38 | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ... | | Authors: | Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J. | | Deposit date: | 2016-06-04 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
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