6JKZ
 
 | Crystal structure of VvPlpA from Vibrio vulnificus | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CHLORIDE ION, Thermolabile hemolysin | Authors: | Ma, Q, Wan, Y, Liu, C. | Deposit date: | 2019-03-03 | Release date: | 2019-05-15 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.397 Å) | Cite: | Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad. J.Biol.Chem., 294, 2019
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6GTT
 
 | Human STK10 bound to BIRB-796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase 10 | Authors: | Berger, B.T, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2018-06-19 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | STK10 bound to BIRB-796 To Be Published
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5BVU
 
 | Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-05 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2). Acs Chem.Biol., 11, 2016
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3KKU
 
 | Cruzain in complex with a non-covalent ligand | Descriptor: | 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... | Authors: | Ferreira, R.S, Eidam, O, Shoichet, B.K. | Deposit date: | 2009-11-06 | Release date: | 2010-07-07 | Last modified: | 2024-11-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
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3KN6
 
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3KPY
 
 | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chlorooxindole | Descriptor: | 6-chloro-1,3-dihydro-2H-indol-2-one, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2024-11-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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6SMU
 
 | Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12) | Descriptor: | Gag protein | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2019-08-22 | Release date: | 2020-09-09 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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5BX5
 
 | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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7ZYA
 
 | Structure of Chit33 from Trichoderma harzianum. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ... | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2022-05-24 | Release date: | 2022-08-31 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material. Int J Mol Sci, 23, 2022
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3KRA
 
 | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium | Descriptor: | 1,2-ETHANEDIOL, Geranyl diphosphate synthase large subunit, Geranyl diphosphate synthase small subunit, ... | Authors: | Chang, T.-H, Ko, T.-P, Hsieh, F.-L, Wang, A.H.-J. | Deposit date: | 2009-11-18 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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3KRO
 
 | Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium, IPP, and DMASPP (II) | Descriptor: | 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ... | Authors: | Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J. | Deposit date: | 2009-11-19 | Release date: | 2010-02-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation Plant Cell, 22, 2010
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5BX2
 
 | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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3KQQ
 
 | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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5C05
 
 | Crystal Structure of Gamma-terpinene Synthase from Thymus vulgaris | Descriptor: | 1,2-ETHANEDIOL, Putative gamma-terpinene synthase | Authors: | Parthier, C.P, Rudolph, K, Muller, Y.A, Mueller-Uri, F. | Deposit date: | 2015-06-12 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Expression, crystallization and structure elucidation of gamma-terpinene synthase from Thymus vulgaris. Acta Crystallogr.,Sect.F, 72, 2016
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5WRF
 
 | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase | Authors: | Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-01 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs To Be Published
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3KXR
 
 | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. | Descriptor: | CHLORIDE ION, Magnesium transporter, putative | Authors: | Fratczak, Z, Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-12-03 | Release date: | 2009-12-15 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. To be Published
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5C0G
 
 | HLA-A02 carrying YLGGPDFPTI | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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2XEN
 
 | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins With a Redesigned C-capping Module. | Descriptor: | 1,2-ETHANEDIOL, METHANOL, NI1C MUT4, ... | Authors: | Kramer, M, Wetzel, S.K, Pluckthun, A, Mittl, P, Grutter, M. | Deposit date: | 2010-05-17 | Release date: | 2010-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Determinants for Improved Thermal Stability of Designed Ankyrin Repeat Proteins with a Redesigned C-Capping Module. J.Mol.Biol., 404, 2010
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5ZUY
 
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4LY0
 
 | Crystal structure WlaRD, a sugar 3N-formyl transferase in the presence of dTDP-Glc and 10-N-Formyl-THF | Descriptor: | 1,2-ETHANEDIOL, 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Thoden, J.B, Goneau, M.-F, Gilbert, M, Holden, H.M. | Deposit date: | 2013-07-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a sugar N-formyltransferase from Campylobacter jejuni. Biochemistry, 52, 2013
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1Y8D
 
 | Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3' | Authors: | Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J. | Deposit date: | 2004-12-11 | Release date: | 2005-02-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase Proc.Natl.Acad.Sci.USA, 102, 2005
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2D55
 
 | Structural, physical and biological characteristics of RNA.DNA binding agent N8-actinomycin D | Descriptor: | ACTINOMYCIN D, DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3') | Authors: | Shinomiya, M, Chu, W, Carlson, R.G, Weaver, R.F, Takusagawa, F. | Deposit date: | 1995-05-01 | Release date: | 1995-10-15 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the 2:1 Complex between D(Gaagcttc) and the Anticancer Drug Actinomycin D. J.Mol.Biol., 225, 1992
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2GYX
 
 | Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution. | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE | Authors: | Lee, M.P.H, Neidle, S. | Deposit date: | 2006-05-10 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex. J.Am.Chem.Soc., 129, 2007
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9FZS
 
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3HQZ
 
 | Discovery of novel inhibitors of PDE10A | Descriptor: | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2009-06-08 | Release date: | 2009-08-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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