6CBM
 
 | | x-ray structure of NeoB from streptomyces fradiae in complex with PLP and neomycin (as the external aldimine) at pH 9 | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Thoden, J.B, Dow, G.T, Holden, H.M. | | Deposit date: | 2018-02-03 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The three-dimensional structure of NeoB: An aminotransferase involved in the biosynthesis of neomycin.
Protein Sci., 27, 2018
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6CZD
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | Deposit date: | 2018-04-09 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
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4G69
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4WD1
 | | Acetoacetyl-CoA Synthetase from Streptomyces lividans | | Descriptor: | 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION | | Authors: | Gulick, A.M, Mitchell, C.A. | | Deposit date: | 2014-09-05 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain.
Proteins, 83, 2015
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4GAP
 | | Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+ | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase | | Authors: | Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J. | | Deposit date: | 2012-07-25 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4WA9
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4ZX6
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4ZSH
 | | RXR LBD in complex with 9-cis-13,14-dihydroretinoic acid | | Descriptor: | (5S,6S,9R,13R)-2,3-didehydro-5,6,7,8,9,10,11,12,13,14-decahydroretinoic acid, NCoA2 peptide, Retinoic acid receptor RXR-alpha | | Authors: | Rochel, N, Krezel, W, Ruhl, R. | | Deposit date: | 2015-05-13 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 9-cis-13,14-Dihydroretinoic Acid Is an Endogenous Retinoid Acting as RXR Ligand in Mice.
Plos Genet., 11, 2015
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4ZY2
 | | X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o | | Descriptor: | CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ... | | Authors: | Drinkwater, N, McGowan, S. | | Deposit date: | 2015-05-21 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
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6CN5
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6COE
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde, MANDELIC ACID NITRILE | | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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6CSS
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4ZW8
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4W5I
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | Descriptor: | MM-102, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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4ZY0
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5AH2
 | | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | | Descriptor: | DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-04 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.129 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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4ZX9
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8IJA
 | | Cryo-EM structure of human HCAR2-Gi complex with niacin | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-26 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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4GIP
 | | Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 (PIV5) fusion protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2 | | Authors: | Welch, B.D, Liu, Y, Kors, C.A, Leser, G.P, Jardetzky, T.S, Lamb, R.A. | | Deposit date: | 2012-08-08 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 fusion protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8IJD
 | | Cryo-EM structure of human HCAR2-Gi complex with MK-6892 | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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6CN9
 | | Crystal structure of the Kinase domain of WNK1 | | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase WNK1 | | Authors: | Akella, R, Goldsmith, E.J. | | Deposit date: | 2018-03-07 | | Release date: | 2019-03-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the kinase domain of WNK1, a kinase that causes a hereditary form of hypertension.
Structure, 12, 2004
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8IJ3
 | | Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state) | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-24 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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8IJB
 | | Cryo-EM structure of human HCAR2-Gi complex with acipimox | | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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: | Pan, X, Fang, Y. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2.
Cell Discov, 9, 2023
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5A2R
 | | A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Harrison, C, Acharya, K.R. | | Deposit date: | 2015-05-22 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
FEBS Open Bio, 5, 2015
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