6NEB
 
 | | MYC Promoter G-Quadruplex with 1:6:1 loop length | | Descriptor: | DNA (27-MER) | | Authors: | Dickerhoff, J, Onel, B, Chen, L, Chen, Y, Yang, D. | | Deposit date: | 2018-12-17 | | Release date: | 2019-02-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a MYC Promoter G-Quadruplex with 1:6:1 Loop Length.
Acs Omega, 4, 2019
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6NEP
 | | Structure of human PACRG-MEIG1 complex | | Descriptor: | CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ... | | Authors: | Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F. | | Deposit date: | 2018-12-18 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.097625 Å) | | Cite: | Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
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6NU1
 | | Crystal Structure of Human PKM2 in Complex with L-cysteine | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, CYSTEINE, MAGNESIUM ION, ... | | Authors: | Srivastava, D, Nandi, S, Dey, M. | | Deposit date: | 2019-01-30 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
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1PTY
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES | | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B | | Authors: | Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | | Deposit date: | 1997-01-16 | | Release date: | 1998-01-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design.
Proc.Natl.Acad.Sci.USA, 94, 1997
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5E1W
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6WP3
 | | Pyruvate Kinase M2 Mutant-K433Q | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | | Deposit date: | 2020-04-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
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6WP5
 | | Pyruvate Kinase M2 mutant-S37D | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nandi, S, Razzaghi, M, Srivastava, D, Dey, M. | | Deposit date: | 2020-04-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural basis for allosteric regulation of pyruvate kinase M2 by phosphorylation and acetylation.
J.Biol.Chem., 295, 2020
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6MYZ
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ520
To Be Published
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6WPW
 | | GCGR-Gs signaling complex bound to a designed glucagon derivative | | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K. | | Deposit date: | 2020-04-28 | | Release date: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into differences in G protein activation by family A and family B GPCRs.
Science, 369, 2020
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6MSQ
 | | Crystal structure of pRO-2.3 | | Descriptor: | pRO-2.3 | | Authors: | Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D. | | Deposit date: | 2018-10-17 | | Release date: | 2019-05-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
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6WQK
 | | hnRNPA2 Low complexity domain (LCD) determined by cryoEM | | Descriptor: | MCherry fluorescent protein,Heterogeneous nuclear ribonucleoproteins A2/B1 chimera | | Authors: | Lu, J, Cao, Q, Hughes, M.P, Sawaya, M.R, Boyer, D.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2020-04-29 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid.
Nat Commun, 11, 2020
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5BRN
 | | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-05-31 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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6WX7
 | | SOX2 bound to Importin-alpha 2 | | Descriptor: | Importin subunit alpha-1, Transcription factor SOX-2 | | Authors: | Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N. | | Deposit date: | 2020-05-09 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
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6N19
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-08 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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5BOK
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5BUG
 | | Crystal structure of human phosphatase PTEN oxidized by H2O2 | | Descriptor: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | Authors: | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | Deposit date: | 2015-06-03 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6N9H
 | | De novo designed homo-trimeric amantadine-binding protein | | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | | Authors: | Park, J, Baker, D. | | Deposit date: | 2018-12-03 | | Release date: | 2019-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.039 Å) | | Cite: | De novo design of a homo-trimeric amantadine-binding protein.
Elife, 8, 2019
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6MJX
 | | human cGAS catalytic domain bound with cGAMP | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | Deposit date: | 2018-09-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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5BPN
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6WN9
 | | Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound | | Descriptor: | Acetyltransferase, ZINC ION | | Authors: | Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J. | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus.
J.Biol.Chem., 295, 2020
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5B5Y
 | | Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB | | Descriptor: | ACETATE ION, PtLCIB4, ZINC ION | | Authors: | Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y. | | Deposit date: | 2016-05-24 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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4MC6
 | | HIV protease in complex with SA499 | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | Deposit date: | 2013-08-21 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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6WNW
 | | Active 70S ribosome without free 5S rRNA and bound with A- and P- tRNA | | Descriptor: | 16S ribosomal RNA, 23s-5s joint ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N. | | Deposit date: | 2020-04-23 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly.
Nat Commun, 11, 2020
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5BRB
 | | Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P. | | Deposit date: | 2015-05-30 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
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6MIT
 | | LptBFGC from Enterobacter cloacae | | Descriptor: | CHLORIDE ION, LPS export ABC transporter permease LptF, Lipopolysaccharide export system ATP-binding protein, ... | | Authors: | Owens, T.W, Kahne, D, Kruse, A.C. | | Deposit date: | 2018-09-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of unidirectional export of lipopolysaccharide to the cell surface.
Nature, 567, 2019
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