5HWL
 
 | | Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form | | Descriptor: | GLUTATHIONE, Glutathione S-transferase Mu 2, N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} | | Authors: | Zhang, X, Wei, J, Wu, S, Zhang, H.P, Luo, M, Yang, X.L, Liao, F, Wang, D.Q. | | Deposit date: | 2016-01-29 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form
To Be Published
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3FRQ
 | | Structure of the macrolide biosensor protein, MphR(A), with erythromcyin | | Descriptor: | CHLORIDE ION, ERYTHROMYCIN A, GLYCEROL, ... | | Authors: | Zheng, J, Sagar, V, Smolinsky, A, Bourke, C, LaRonde-LeBlanc, N, Cropp, T.A. | | Deposit date: | 2009-01-08 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure and function of the macrolide biosensor protein, MphR(A), with and without erythromycin
J.Mol.Biol., 387, 2009
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6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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2Q5I
 | | Crystal structure of apo S581L Glycyl-tRNA synthetase mutant | | Descriptor: | Glycyl-tRNA synthetase, SULFATE ION | | Authors: | Cader, M.Z, Ren, J, James, P.A, Bird, L.E, Talbot, K, Stammers, D.K, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2007-06-01 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human wildtype and S581L-mutant glycyl-tRNA synthetase, an enzyme underlying distal spinal muscular atrophy.
Febs Lett., 581, 2007
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5HY9
 | | Glycosylated, disulfide-linked Knob-into-Hole Fc fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-02-01 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
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3FQZ
 | | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(3-methoxy-4-phenylphenyl)but-1-ynyl]-6-methylpyrimidine | | Descriptor: | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | | Deposit date: | 2009-01-07 | | Release date: | 2009-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
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3T8K
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6TQB
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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4ZPH
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with Proflavine | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, PROFLAVIN | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-07 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
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4ZR6
 | | Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine | | Descriptor: | 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine, Acetylcholine-binding protein | | Authors: | Bobango, J, Bryant, D, Denton, T.T, Talley, T.T. | | Deposit date: | 2015-05-11 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-guided design and analysis of arylidene anabaseines and myosmines
To be Published
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5HP4
 | | Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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4ZEW
 | | Crystal structure of PfHAD1 in complex with glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Park, J, Tolia, N.H. | | Deposit date: | 2015-04-20 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cap-domain closure enables diverse substrate recognition by the C2-type haloacid dehalogenase-like sugar phosphatase Plasmodium falciparum HAD1.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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6LHI
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | | Descriptor: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2019-12-09 | | Release date: | 2020-12-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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6LJR
 | | human galectin-16 R55N/H57R | | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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5HQE
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6TTZ
 | | Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | | Authors: | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
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3FWX
 | | The crystal structure of the peptide deformylase from Vibrio cholerae O1 biovar El Tor str. N16961 | | Descriptor: | Peptide deformylase, ZINC ION | | Authors: | Zhang, R, Zhou, M, Stam, J, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-01-19 | | Release date: | 2009-03-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the peptide deformylase from Vibrio cholerae O1 biovar El Tor
To be Published
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2PLJ
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4ZR5
 | | Soluble rabbit neprilysin in complex with phosphoramidon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | Authors: | Labiuk, S.L, Grochulski, P, Sygusch, J. | | Deposit date: | 2015-05-11 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8016 Å) | | Cite: | Structures of soluble rabbit neprilysin complexed with phosphoramidon or thiorphan.
Acta Crystallogr.,Sect.F, 75, 2019
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2PM7
 | | Crystal structure of yeast Sec13/31 edge element of the COPII vesicular coat, selenomethionine version | | Descriptor: | Protein transport protein SEC13, Protein transport protein SEC31 | | Authors: | Goldberg, J, Fath, S, Mancias, J.D, Bi, X. | | Deposit date: | 2007-04-20 | | Release date: | 2007-07-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and Organization of Coat Proteins in the COPII Cage.
Cell(Cambridge,Mass.), 129, 2007
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3T7T
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3TBM
 | | Crystal structure of a type 4 CDGSH iron-sulfur protein. | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, L(+)-TARTARIC ACID, NONAETHYLENE GLYCOL, ... | | Authors: | Lin, J, Zhang, L, Ye, K. | | Deposit date: | 2011-08-07 | | Release date: | 2011-10-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structure and Molecular Evolution of CDGSH Iron-Sulfur Domains.
Plos One, 6, 2011
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4ZGN
 | | Structure Cdc123 complexed with the C-terminal domain of eIF2gamma | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123, Eukaryotic translation initiation factor 2 subunit gamma, ... | | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | | Deposit date: | 2015-04-23 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Structure, 23, 2015
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6TR2
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6TR8
 | | Corynebacterium diphtheriae methionine sulfoxide reductase B (MsrB) solution structure - reduced form | | Descriptor: | Peptide-methionine (R)-S-oxide reductase, ZINC ION | | Authors: | Volkov, A.N, Tossounian, M.A, Buts, L, Messens, J. | | Deposit date: | 2019-12-18 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Methionine sulfoxide reductase B fromCorynebacterium diphtheriaecatalyzes sulfoxide reduction via an intramolecular disulfide cascade.
J.Biol.Chem., 295, 2020
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