3LMV
 
 | | D-Tyr-tRNA(Tyr) Deacylase from plasmodium falciparum in complex with hepes | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-tyrosyl-tRNA(Tyr) deacylase, SULFITE ION | | Authors: | Manickam, Y, Khan, S, Bhatt, T.K, Sharma, A. | | Deposit date: | 2010-02-01 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.833 Å) | | Cite: | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states
Acta Crystallogr.,Sect.D, 66, 2010
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5TS8
 | | Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE | | Descriptor: | 1,2-ETHANEDIOL, 5,6-DIBROMOBENZOTRIAZOLE, ACETATE ION, ... | | Authors: | Winiewska, M, Kucinska, K, Czapinska, H, Piasecka, A, Bochtler, M, Poznanski, J. | | Deposit date: | 2016-10-28 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | STRUCTURAL AND THERMODYNAMIC ANALYSIS OF 5,6-DIBROMOBENZOTRIAZOLE BINDING TO CASEIN KINASE 2 ALPHA
To Be Published
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8IQF
 | | Cryo-EM structure of the dimeric human CAF1-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2023-03-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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6DYT
 | | Citrobacter freundii tyrosine phenol-lyase F448A mutant complexed with L-alanine | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ALANYL-PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2018-07-02 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structures of Wild-Type and F448A Mutant Citrobacter freundii Tyrosine Phenol-Lyase Complexed with a Substrate and Inhibitors: Implications for the Reaction Mechanism.
Biochemistry, 57, 2018
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3LG1
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase reduced by sodium borohydride (in complex with sulfite) | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Dorovatovsky, P.V, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2010-01-19 | | Release date: | 2010-12-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
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7VBH
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GLP-1R-Gs complex | | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-31 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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5HGB
 | | HLA*A2402 complexed with HIV nef138 8mer epitope | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2016-01-08 | | Release date: | 2016-06-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effects of a Single Escape Mutation on T Cell and HIV-1 Co-adaptation.
Cell Rep, 15, 2016
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8IQG
 | | Cryo-EM structure of the monomeric human CAF1-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2023-03-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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9LYO
 | | Alpha SARS-CoV-2 spike protein in complex with REGN10987 Fab homologue. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, REGN10987 Fab homologue (Heavy chain), ... | | Authors: | Kocharovskaya, M.V, Pichkur, E.B, Shenkarev, Z.O, Lyukmanova, E.N. | | Deposit date: | 2025-02-20 | | Release date: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structure and dynamics of Alpha B.1.1.7 SARS-CoV-2 S-protein in complex with Fab of neutralizing antibody REGN10987.
Biochem.Biophys.Res.Commun., 755, 2025
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7D7K
 | | The crystal structure of SARS-CoV-2 papain-like protease in apo form | | Descriptor: | 1,2-ETHANEDIOL, CAFFEINE, Non-structural protein 3, ... | | Authors: | Zhao, Y, Sun, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2020-10-04 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Protein Cell, 12, 2021
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5HJ9
 | | Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHPE | | Descriptor: | 1,2-ETHANEDIOL, Arginase, GLYCEROL, ... | | Authors: | Hai, Y, Christianson, D.W. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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4MBG
 | | Crystal structure of Aspergillus fumigatus protein farnesyltransferase binary complex with farnesyldiphosphate | | Descriptor: | 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ... | | Authors: | Mabanglo, M.F, Hast, M.A, Beese, L.S. | | Deposit date: | 2013-08-19 | | Release date: | 2014-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design.
Protein Sci., 23, 2014
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6L4Y
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9LYP
 | | Alpha SARS-CoV-2 spike protein RBD-down in complex with REGN10987 Fab homologue (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, REGN10987 Fab homologue (Heavy chain), REGN10987 Fab homologue (Light chain), ... | | Authors: | Kocharovskaya, M.V, Pichkur, E.B, Shenkarev, Z.O, Lyukmanova, E.N. | | Deposit date: | 2025-02-20 | | Release date: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and dynamics of Alpha B.1.1.7 SARS-CoV-2 S-protein in complex with Fab of neutralizing antibody REGN10987.
Biochem.Biophys.Res.Commun., 755, 2025
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7YR5
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7YET
 | | The structure of EBOV L-VP35 in complex with suramin | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Polymerase cofactor VP35, RNA-directed RNA polymerase L | | Authors: | Shi, Y, Yuan, B, Peng, Q. | | Deposit date: | 2022-07-06 | | Release date: | 2022-10-05 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the Ebola virus polymerase complex.
Nature, 610, 2022
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3GKE
 | | Crystal Structure of Dicamba Monooxygenase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DdmC, ... | | Authors: | Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P. | | Deposit date: | 2009-03-10 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
J.Mol.Biol., 392, 2009
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4B90
 | | Crystal structure of WT human CRMP-5 | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPYRIMIDINASE-RELATED PROTEIN 5 | | Authors: | Ponnusamy, R, Lohkamp, B. | | Deposit date: | 2012-08-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights Into the Oligomerization of Crmps: Crystal Structure of Human Collapsin Response Mediator Protein 5.
J.Neurochem., 125, 2013
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7Y7S
 | | QDE-1 in complex with DNA template, RNA primer and AMPNPP | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cui, R.X, Gan, J.H, Ma, J.B. | | Deposit date: | 2022-06-22 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Nucleic Acids Res., 50, 2022
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9MZA
 | | Chemically Hijacked BCL6-TCIP3-p300 Complex | | Descriptor: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, B-cell lymphoma 6 protein, Histone acetyltransferase p300 | | Authors: | Hinshaw, S.M, Gray, N.S, Nix, M.N, Gourisankar, S, Martinez, M, Crabtree, G.R. | | Deposit date: | 2025-01-22 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Bivalent Molecular Glue Linking Lysine Acetyltransferases to Oncogene-induced Cell Death.
Biorxiv, 2025
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5JEP
 | | Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide | | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | | Deposit date: | 2016-04-18 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3LPT
 | | HIV integrase | | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-05 | | Release date: | 2010-05-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
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4RDB
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6FBN
 | | Human Methionine Adenosyltransferase II mutant (Q113A) | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-12-19 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
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7TU4
 | | Structure of the L. blandensis dGTPase del55-58 mutant bound to Mn | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T. | | Deposit date: | 2022-02-02 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
J.Biol.Chem., 298, 2022
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