1KX4
 
 | | X-Ray Structure of the Nucleosome Core Particle, NCP146b, at 2.6 A Resolution | | Descriptor: | CHLORIDE ION, DNA (5'(ATCTCCAAATATCCCTTGCGGATCGTAGAAAAAGTGTGTCAAACTGCGCTATCAAAGGGAAACTTCAACTGAATTCAGTTGAAGTTTCCCTTTGATAGCGCAGTTTGACACACTTTTTCTACGATCCGCAAGGGATATTTGGAGAT)3'), MANGANESE (II) ION, ... | | Authors: | Davey, C.A, Sargent, D.F, Luger, K, Maeder, A.W, Richmond, T.J. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Solvent Mediated Interactions in the Structure of the Nucleosome Core Particle at 1.9 A Resolution
J.Mol.Biol., 319, 2002
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1CNS
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4AKT
 | | PatG macrocyclase in complex with peptide | | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2012-02-28 | | Release date: | 2012-07-18 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
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3FQQ
 | | Crystal structure of a novel dimeric form of HCV NS5A domain I protein | | Descriptor: | 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, GLYCEROL, Non-structural protein 5A, ... | | Authors: | Love, R.A. | | Deposit date: | 2009-01-07 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
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4MAH
 | | Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Zn | | Descriptor: | 1,2-ETHANEDIOL, AA11 Lytic Polysaccharide Monooxygenase, CHLORIDE ION, ... | | Authors: | Hemsworth, G.R, Henrissat, B, Walton, P.H, Davies, G.J. | | Deposit date: | 2013-08-16 | | Release date: | 2013-12-18 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and characterization of a new family of lytic polysaccharide monooxygenases.
Nat.Chem.Biol., 10, 2014
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6CVX
 | | Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue) | | Descriptor: | GLYCEROL, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide, NS3 protease, ... | | Authors: | Matthew, A.N, Schiffer, C.A. | | Deposit date: | 2018-03-29 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
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1KWG
 | | Crystal structure of Thermus thermophilus A4 beta-galactosidase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, BETA-GALACTOSIDASE, ... | | Authors: | Hidaka, M, Fushinobu, S, Ohtsu, N, Motoshima, H, Matsuzawa, H, Shoun, H, Wakagi, T. | | Deposit date: | 2002-01-29 | | Release date: | 2002-09-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Trimeric Crystal Structure of the Glycoside Hydrolase Family 42 beta-Galactosidase from Thermus thermophilus A4 and the Structure of its Complex with Galactose
J.MOL.BIOL., 322, 2002
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1Y5V
 | | tRNA-Guanine Transglycosylase (TGT) in complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | | Deposit date: | 2004-12-03 | | Release date: | 2005-12-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
J.Mol.Biol., 370, 2007
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4HXL
 | | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | | Descriptor: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4TQP
 | | Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode | | Descriptor: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin | | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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4MBE
 | | Sac3:Sus1:Cdc31:Nup1 complex | | Descriptor: | CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ... | | Authors: | Jani, D, Meineke, B, Stewart, M. | | Deposit date: | 2013-08-19 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export.
Nucleic Acids Res., 42, 2014
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5C1I
 | | m1A58 tRNA methyltransferase mutant - D170A | | Descriptor: | SULFATE ION, tRNA (adenine(58)-N(1))-methyltransferase TrmI | | Authors: | Ponchon, L, Degut, C, Folly-Klan, M, Barraud, P, Tisne, C. | | Deposit date: | 2015-06-14 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The m1A58 modification in eubacterial tRNA: An overview of tRNA recognition and mechanism of catalysis by TrmI.
Biophys.Chem., 210, 2016
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2B8R
 | | Structure oF HIV-1(LAI) genomic RNA DIS | | Descriptor: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP*CP*AP*AP*G)-3', MAGNESIUM ION, SODIUM ION, ... | | Authors: | Ennifar, E, Walter, P, Ehresmann, B, Ehresmann, C, Dumas, P. | | Deposit date: | 2005-10-10 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of coaxially stacked kissing complexes of the HIV-1 RNA dimerization initiation site
Nat.Struct.Biol., 8, 2001
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1YZ5
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4HVJ
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1KX3
 | | X-Ray Structure of the Nucleosome Core Particle, NCP146, at 2.0 A Resolution | | Descriptor: | DNA (5'(ATCAATATCCACCTGCAGATTCTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATGTTCAGCTGAATTCAGCTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGAATCTGCAGGTGGATATTGAT)3'), MANGANESE (II) ION, histone H2A.1, ... | | Authors: | Davey, C.A, Sargent, D.F, Luger, K, Maeder, A.W, Richmond, T.J. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Solvent Mediated Interactions in the Structure of the Nucleosome Core Particle at 1.9 A Resolution
J.Mol.Biol., 319, 2002
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1DGB
 | | HUMAN ERYTHROCYTE CATALASE | | Descriptor: | CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | | Deposit date: | 1999-11-23 | | Release date: | 2000-02-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism.
J.Mol.Biol., 296, 2000
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4RPX
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1DMH
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL | | Descriptor: | 4-METHYLCATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | | Authors: | Vetting, M.W, Ohlendorf, D.H. | | Deposit date: | 1999-12-14 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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1DMW
 | | CRYSTAL STRUCTURE OF DOUBLE TRUNCATED HUMAN PHENYLALANINE HYDROXYLASE WITH BOUND 7,8-DIHYDRO-L-BIOPTERIN | | Descriptor: | 7,8-DIHYDROBIOPTERIN, FE (III) ION, PHENYLALANINE HYDROXYLASE | | Authors: | Erlandsen, H, Stevens, R.C, Flatmark, T. | | Deposit date: | 1999-12-15 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure and site-specific mutagenesis of pterin-bound human phenylalanine hydroxylase.
Biochemistry, 39, 2000
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4NEF
 | | X-ray structure of human Aquaporin 2 | | Descriptor: | Aquaporin-2, CADMIUM ION, ZINC ION | | Authors: | Frick, A, Eriksson, U, Mattia, F.D, Oberg, F, Hedfalk, K, Neutze, R, Grip, W.D, Deen, P.M.T, Tornroth-horsefield, S. | | Deposit date: | 2013-10-29 | | Release date: | 2014-04-16 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | X-ray structure of human aquaporin 2 and its implications for nephrogenic diabetes insipidus and trafficking
Proc.Natl.Acad.Sci.USA, 111, 2014
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6IL7
 | | Structure of Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) C503A mutant | | Descriptor: | SULFATE ION, Thioredoxin reductase/glutathione-related protein | | Authors: | Toh, Y.K, Shin, J, Balakrishna, A.M, Eisenhaber, F, Eisenhaber, B, Gruber, G. | | Deposit date: | 2018-10-17 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Effect of the additional cysteine 503 of vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F (AhpF) and the mechanism of AhpF and subunit C assembling.
Free Radic. Biol. Med., 138, 2019
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6EHK
 | | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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6EHU
 | | The crystal structure of CK2alpha in complex with compound 32 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-15 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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