4LE8
 
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4LEB
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4LEE
 | | Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F | | Descriptor: | Agglutinin-like protein 3 | | Authors: | Lin, J, Garnett, J.A, Cota, E. | | Deposit date: | 2013-06-25 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Peptide-binding Cavity Is Essential for Als3-mediated Adhesion of Candida albicans to Human Cells.
J.Biol.Chem., 289, 2014
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5SYA
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5SY4
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5SY9
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5SY6
 | | Atomic resolution structure of human DJ-1, DTT bound | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1 | | Authors: | Wilson, M.A, Lin, J. | | Deposit date: | 2016-08-10 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
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6O2Z
 | | Crystal structure of IDH1 R132H mutant in complex with compound 32 | | Descriptor: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-02-25 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
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6O2Y
 | | Crystal structure of IDH1 R132H mutant in complex with compound 24 | | Descriptor: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-02-25 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
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3BZE
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | | Authors: | Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J. | | Deposit date: | 2008-01-17 | | Release date: | 2008-04-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
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3CDG
 | | Human CD94/NKG2A in complex with HLA-E | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ... | | Authors: | Petrie, E.J, Clements, C.S, Lin, J, Sullivan, L.C, Johnson, D, Huyton, T, Heroux, A, Hoare, H.L, Beddoe, T, Reid, H.H, Wilce, M.C.J, Brooks, A.G, Rossjohn, J. | | Deposit date: | 2008-02-26 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | CD94-NKG2A recognition of human leukocyte antigen (HLA)-E bound to an HLA class I leader sequence
J.Exp.Med., 205, 2008
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5J8B
 | | Crystal structure of Elongation Factor 4 (EF-4/LepA) in complex with GDPCP bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Gagnon, M.G, Lin, J, Steitz, T.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Elongation factor 4 remodels the A-site tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4W2E
 | | Crystal structure of Elongation Factor 4 (EF4/LepA) bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Gagnon, M.G, Lin, J, Steitz, T.A. | | Deposit date: | 2014-06-04 | | Release date: | 2014-10-01 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of elongation factor 4 bound to a clockwise ratcheted ribosome.
Science, 345, 2014
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4TY9
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 5-(trifluoromethyl)pyridin-2-amine, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TYB
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TYA
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 4-(trifluoromethyl)benzoic acid, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TXS
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | (4-hydroxyphenyl)acetonitrile, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TY8
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 6-methyl-2H-chromen-2-one, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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6U4J
 | | Crystal structure of IDH1 R132H mutant in complex with FT-2102 | | Descriptor: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-08-25 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.
J.Med.Chem., 63, 2020
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7TRY
 | | Cryo-EM structure of corticotropin releasing factor receptor 2 bound to Urocortin 1 and coupled with heterotrimeric G11 protein | | Descriptor: | Corticotropin-releasing factor receptor 2, G protein gamma subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhao, L.-H, Lin, J, Mao, C, Zhou, X.E, Ji, S, Shen, D, Xiao, P, Melcher, K, Zhang, Y, Yu, X, Xu, H.E. | | Deposit date: | 2022-01-31 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure insights into selective coupling of G protein subtypes by a class B G protein-coupled receptor.
Nat Commun, 13, 2022
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7TS0
 | | Cryo-EM structure of corticotropin releasing factor receptor 2 bound to Urocortin 1 and coupled with heterotrimeric Go protein | | Descriptor: | Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Human corticotropin releasing factor receptor 2, Dominant negative Go alpha subunit, G protein gamma subunit, ... | | Authors: | Zhao, L.-H, Lin, J, Mao, C, Zhou, X.E, Ji, S, Shen, D, Xiao, P, Melcher, K, Zhang, Y, Yu, X, Xu, H.E. | | Deposit date: | 2022-01-31 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure insights into selective coupling of G protein subtypes by a class B G protein-coupled receptor.
Nat Commun, 13, 2022
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8BLS
 | | Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with Glycocholate (GCA) | | Descriptor: | Bile salt hydrolase, GLYCOCHOLIC ACID | | Authors: | Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses.
Structure, 31, 2023
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8BLT
 | | Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with taurocholate (TCA) | | Descriptor: | Bile salt hydrolase, TAUROCHOLIC ACID | | Authors: | Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G. | | Deposit date: | 2022-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses.
Structure, 31, 2023
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1ZPB
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | | Descriptor: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-05-16 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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1ZPC
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-05-16 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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