5DWY
 
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7MOZ
 | | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | | Descriptor: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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5DOB
 | | Crystal structure of the Human Cytomegalovirus Nuclear Egress Complex (NEC) | | Descriptor: | CALCIUM ION, Virion egress protein UL31 homolog, Virion egress protein UL34 homolog, ... | | Authors: | Lye, M.F, El Omari, K, Filman, D.J, Hogle, J.M. | | Deposit date: | 2015-09-11 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Unexpected features and mechanism of heterodimer formation of a herpesvirus nuclear egress complex.
Embo J., 34, 2015
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2Z8Z
 | | Crystal structure of a platinum-bound S445C mutant of Pseudomonas sp. MIS38 lipase | | Descriptor: | CALCIUM ION, Lipase, PLATINUM (II) ION, ... | | Authors: | Angkawidjaja, C, You, D.J, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a family I.3 lipase from Pseudomonas sp. MIS38 in a closed conformation
FEBS Lett., 581, 2007
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2Z58
 | | Crystal structure of G56W-propeptide:S324A-subtilisin complex | | Descriptor: | CALCIUM ION, Tk-subtilisin, ZINC ION | | Authors: | Pulido, M.A, Tanaka, S, Sringiew, C, You, D.J, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2007-06-29 | | Release date: | 2008-01-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Requirement of left-handed glycine residue for high stability of the Tk-subtilisin propeptide as revealed by mutational and crystallographic analyses
J.Mol.Biol., 374, 2007
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7MEJ
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7MDW
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5J7X
 | | Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus | | Descriptor: | Dimethylaniline monooxygenase, putative, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Ferroni, F.M, Tolmie, C, Smit, M.S, Opperman, D.J. | | Deposit date: | 2016-04-07 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase.
Plos One, 11, 2016
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7ME7
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2B5W
 | | Crystal structure of D38C glucose dehydrogenase mutant from Haloferax mediterranei | | Descriptor: | CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | Authors: | Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W. | | Deposit date: | 2005-09-29 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2Y9E
 | | Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 | | Descriptor: | MYOSIN-2 | | Authors: | Preller, M, Bauer, S, Adamek, N, Fujita-Becker, S, Fedorov, R, Geeves, M.A, Manstein, D.J. | | Deposit date: | 2011-02-14 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.397 Å) | | Cite: | Structural Basis for the Allosteric Interference of Myosin Function by Reactive Thiol Region Mutations G680A and G680V.
J.Biol.Chem., 286, 2011
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5FQH
 | | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION | | Authors: | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-12-10 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
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7NIT
 | | X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum | | Descriptor: | Beta-galactosidase, CALCIUM ION, GLYCEROL, ... | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S. | | Deposit date: | 2021-02-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
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2XZS
 | | Death associated protein kinase 1 residues 1-312 | | Descriptor: | DEATH ASSOCIATED KINASE 1, MAGNESIUM ION | | Authors: | Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J. | | Deposit date: | 2010-11-29 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Structure, 24, 2016
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5FK0
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5FR0
 | | The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens | | Descriptor: | 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION | | Authors: | Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
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2BGZ
 | | ATOMIC MODEL OF THE BACTERIAL FLAGELLAR BASED ON DOCKING AN X-RAY DERIVED HOOK STRUCTURE INTO AN EM MAP. | | Descriptor: | FLAGELLAR HOOK PROTEIN FLGE | | Authors: | Shaikh, T.R, Thomas, D.R, Chen, J.Z, Samatey, F.A, Matsunami, H, Imada, K, Namba, K, Derosier, D.J. | | Deposit date: | 2005-01-06 | | Release date: | 2005-01-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | A Partial Atomic Structure for the Flagellar Hook of Salmonella Typhimurium.
Proc.Natl.Acad.Sci.USA, 102, 2005
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5ER5
 | | Crystal Structure of Calcium-loaded S100B bound to SC1990 | | Descriptor: | CALCIUM ION, ETHIDIUM, Protein S100-B | | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | Deposit date: | 2015-11-13 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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2XX0
 | | STRUCTURE OF THE N90S-H254F MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | | Deposit date: | 2010-11-07 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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5HPN
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7LHC
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5DR6
 | | Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | | Deposit date: | 2015-09-15 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.534 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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2XWZ
 | | STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | | Descriptor: | ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | | Deposit date: | 2010-11-06 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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5DUN
 | | The crystal structure of OMe substituted twister ribozyme | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (54-MER) | | Authors: | Ren, A, Patel, D.J, Micura, R, Rajashankar, K.R. | | Deposit date: | 2015-09-19 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | A Mini-Twister Variant and Impact of Residues/Cations on the Phosphodiester Cleavage of this Ribozyme Class.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2Y0A
 | | Structure of DAPK1 construct residues 1-304 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DEATH-ASSOCIATED PROTEIN KINASE 1 | | Authors: | Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J. | | Deposit date: | 2010-12-01 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Library-Based Construct Screening of Death-Associated Protein Kinase 1 Identifies the Minimal Calmodulin Interaction Region and Autoinhibitory Conformation of the Catalytic Domain
To be Published
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