4WZV
 
 | | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | | Descriptor: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | | Authors: | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | Deposit date: | 2014-11-20 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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5ESD
 | | Crystal Structure of M. tuberculosis MenD bound to ThDP and Mn2+ | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION, THIAMINE DIPHOSPHATE | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
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6H0B
 | | Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2018-07-08 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
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6XAR
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6XIZ
 | | Crystal structure of multi-copper oxidase from Pediococcus acidilactici | | Descriptor: | BENZAMIDINE, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A. | | Deposit date: | 2020-06-22 | | Release date: | 2021-03-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
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6BAF
 | | Structure of the chromophore binding domain of Stigmatella aurantiaca phytochrome P1, wild-type | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Schmidt, M, Stojkovic, E. | | Deposit date: | 2017-10-12 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
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6BAP
 | | Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Schmidt, M, Stojkovic, E. | | Deposit date: | 2017-10-14 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
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5M7E
 | | Tubulin-BKM120 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-27 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.046 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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6BAY
 | | Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Schmidt, M, Stojkovic, E. | | Deposit date: | 2017-10-16 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
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5MAF
 | | Crystal structure of MELK in complex with an inhibitor | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ... | | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The target landscape of clinical kinase drugs.
Science, 358, 2017
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2HIO
 | | HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN | | Descriptor: | PROTEIN (HISTONE H2A), PROTEIN (HISTONE H2B), PROTEIN (HISTONE H3), ... | | Authors: | Arents, G, Moudrianakis, E.N. | | Deposit date: | 1999-06-15 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix.
Proc.Natl.Acad.Sci.USA, 88, 1991
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6HJX
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | | Deposit date: | 2018-09-04 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel.
Nat.Chem.Biol., 15, 2019
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6XKE
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6XL7
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1GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1996-12-17 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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8OI8
 | | Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
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5N7X
 | | CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE EWVHPQFEQKAK | | Descriptor: | GLU-TRP-VAL-HIS-PRO-GLN-PHE-GLU-GLN-LYS-ALA-LYS Peptide, Streptavidin | | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | | Deposit date: | 2017-02-21 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
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5N8B
 | | CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE AFPDYLAEYHGG | | Descriptor: | ALA-PHE-PRO-ASP-TYR-LEU-ALA-GLU-TYR-HIS-GLY-GLY-NH2, Streptavidin | | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
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6EUQ
 | | MdfA(Q131R/L339E) | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, ACETATE ION, HEXANE, ... | | Authors: | Tam, H.K, Zomot, E, Bibi, E, Pos, K.M. | | Deposit date: | 2017-10-31 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter.
J. Mol. Biol., 430, 2018
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8OK4
 | | Variant Surface Glycoprotein VSG11wt-Oil | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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6US2
 | | MTH1 in complex with compound 5 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | Authors: | Newby, Z.E.R, Lansdon, E.B. | | Deposit date: | 2019-10-24 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.80012655 Å) | | Cite: | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
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8BU8
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5NEV
 | | CDK2/Cyclin A in complex with compound 73 | | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | | Deposit date: | 2017-03-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines.
J. Med. Chem., 60, 2017
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5VJH
 | | Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein | | Descriptor: | FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | | Deposit date: | 2017-04-19 | | Release date: | 2017-07-05 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
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6HRH
 | | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-09-27 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
To Be Published
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