6RCM
 
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | | Descriptor: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | Deposit date: | 2019-04-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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3C86
 | | OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | | Authors: | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | | Deposit date: | 2008-02-10 | | Release date: | 2008-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
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3TF5
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3SFD
 | | crystal structure of porcine mitochondrial respiratory complex II bound with oxaloacetate and pentachlorophenol | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Zhou, Q.J, Zhai, Y.J, Liu, M, Sun, F. | | Deposit date: | 2011-06-13 | | Release date: | 2011-09-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature.
Protein Cell, 2, 2011
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6MXX
 | | Structure of 53BP1 tandem Tudor domains in complex with small molecule UNC2991 | | Descriptor: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-iodobenzamide, PHOSPHATE ION, ... | | Authors: | Cui, G, Botuyan, M.V, Mer, G. | | Deposit date: | 2018-10-31 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering.
Nat Commun, 14, 2023
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3S5S
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3C7Z
 | | T4 lysozyme mutant D89A/R96H at room temperature | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | Authors: | Mooers, B.H.M. | | Deposit date: | 2008-02-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
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1Q55
 | | W-shaped trans interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, W, Cowin, P, Stokes, D.L. | | Deposit date: | 2003-08-06 | | Release date: | 2003-10-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (30 Å) | | Cite: | Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
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3BLW
 | | Yeast Isocitrate Dehydrogenase with Citrate and AMP Bound in the Regulatory Subunits | | Descriptor: | ADENOSINE MONOPHOSPHATE, CITRATE ANION, Isocitrate dehydrogenase [NAD] subunit 1, ... | | Authors: | Taylor, A.B, Hu, G, Hart, P.J, McAlister-Henn, L. | | Deposit date: | 2007-12-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
J.Biol.Chem., 283, 2008
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6T8G
 | | Stalled FtsK motor domain bound to dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA translocase FtsK, dsDNA substrate | | Authors: | Jean, N.L, Lowe, J. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.34 Å) | | Cite: | FtsK in motion reveals its mechanism for double-stranded DNA translocation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3B38
 | | Structure of A104V DJ-1 | | Descriptor: | 1,2-ETHANEDIOL, Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-19 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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3B4W
 | | Crystal structure of Mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+ | | Descriptor: | Aldehyde dehydrogenase, ETHANOL, GLYCEROL, ... | | Authors: | Moon, J.H, Lyon, A.E, Yu, M, Hung, L.-W, Terwilliger, T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-10-24 | | Release date: | 2007-11-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of aldehyde dehydrogenase from Mycobacterium tuberculosis complexed with NAD+.
To Be Published
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3SAV
 | | MUTM Slanted complex 8 | | Descriptor: | DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*AP*AP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*T*CP*CP*TP*TP*GP*TP*(CX2)P*TP*AP*CP*C)-3'), DNA GLYCOSYLASE, ... | | Authors: | Spong, M.C, Qi, Y, Verdine, G.L. | | Deposit date: | 2011-06-03 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.125 Å) | | Cite: | Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3SBA
 | | Zn-mediated Hexamer of T4 Lysozyme R76H/R80H by Synthetic Symmetrization | | Descriptor: | CHLORIDE ION, Lysozyme, ZINC ION | | Authors: | Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O. | | Deposit date: | 2011-06-03 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
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3AXX
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3SBO
 | | Structure of E.coli GDH from native source | | Descriptor: | CHLORIDE ION, NADP-specific glutamate dehydrogenase | | Authors: | Gee, C.L, Zubieta, C, Echols, N, Totir, M. | | Deposit date: | 2011-06-06 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.204 Å) | | Cite: | Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization.
Plos One, 7, 2012
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3SCU
 | | Crystal Structure of Rice BGlu1 E386G Mutant Complexed with Cellopentaose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, SULFATE ION, ... | | Authors: | Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R. | | Deposit date: | 2011-06-08 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
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3AZ7
 | | Crystal structure of Pt/T-HEWL | | Descriptor: | Lysozyme C, PLATINUM (II) ION, SODIUM ION | | Authors: | Abe, S, Tsujimoto, M, Yoneda, K, Ohba, M, Hikage, T, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2011-05-20 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Porous protein crystals as reaction vessels for controlling magnetic properties of nanoparticles
Small, 8, 2012
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6T40
 | | Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide | | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | | Deposit date: | 2019-10-11 | | Release date: | 2020-08-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
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3SFE
 | | crystal structure of porcine mitochondrial respiratory complex II bound with oxaloacetate and thiabendazole | | Descriptor: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Zhou, Q.J, Zhai, Y.J, Liu, M, Sun, F. | | Deposit date: | 2011-06-13 | | Release date: | 2011-09-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature.
Protein Cell, 2, 2011
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3B9G
 | | Crystal structure of loop deletion mutant of Trypanosoma vivax nucleoside hydrolase (3GTvNH) in complex with ImmH | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, IAG-nucleoside hydrolase, ... | | Authors: | Vandemeulebroucke, A, De Vos, S, Van Holsbeke, E, Steyaert, J, Versees, W. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax.
J.Biol.Chem., 283, 2008
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3B9T
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1NOB
 | | KNOB DOMAIN FROM ADENOVIRUS SEROTYPE 12 | | Descriptor: | PROTEIN (FIBER KNOB PROTEIN) | | Authors: | Bewley, M.C, Springer, K, Zhang, Y.B, Freimuth, P, Flanagan, J.M. | | Deposit date: | 1999-05-05 | | Release date: | 1999-11-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of the mechanism of adenovirus binding to its human cellular receptor, CAR.
Science, 286, 1999
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6NV2
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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3B1K
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