Author results

6PFM
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CRYSTAL STRUCTURE OF GDC-0927 BOUND TO ESTROGEN RECEPTOR ALPHA
Descriptor:Estrogen receptor, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol
Authors:Kiefer, J.R., Vinogradova, M., Liang, J., Zhang, B., Wang, X., Zbieg, J.R., Labadie, S.S., Li, J., Ray, N.C., Ortwine, D.
Deposit date:2019-06-21
Release date:2019-07-17
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019
6PET
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CRYSTAL STRUCTURE OF 8-HYDROXYCHROMENE COMPOUND 30 BOUND TO ESTROGEN RECEPTOR ALPHA
Descriptor:Estrogen receptor, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, ...
Authors:Kiefer, J.R., Vinogradova, M., Liang, J., Wang, X., Zbieg, J., Labadie, S.S., Zhang, B., Li, J., Liang, W.
Deposit date:2019-06-20
Release date:2019-07-17
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Discovery of a C-8 Hydroxychromene as a Potent Degrader of Estrogen Receptor alpha with Improved Rat Oral Exposure over GDC-0927
Bioorg.Med.Chem.Lett., 2019
6OD5
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HUMAN TCF4 C-TERMINAL BHLH DOMAIN IN COMPLEX WITH 12-BP OLIGONUCLEOTIDE CONTAINING E-BOX SEQUENCE WITH 5-CARBOXYLCYTOSINES
Descriptor:Transcription factor 4, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), 1,2-ETHANEDIOL, ...
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 2019
6OD4
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HUMAN TCF4 C-TERMINAL BHLH DOMAIN IN COMPLEX WITH 11-BP OLIGONUCLEOTIDE CONTAINING E-BOX SEQUENCE
Descriptor:Transcription factor 4, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), 1,2-ETHANEDIOL
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 2019
6OD3
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HUMAN TCF4 C-TERMINAL BHLH DOMAIN IN COMPLEX WITH 13-BP OLIGONUCLEOTIDE CONTAINING E-BOX SEQUENCE
Descriptor:Transcription factor 4, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), 1,2-ETHANEDIOL, ...
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 2019
6O8I
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BTK IN COMPLEX WITH INHIBITOR
Descriptor:Tyrosine-protein kinase BTK, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
Authors:Pokross, M., Tebben, A.J., Watterson, S.H.
Deposit date:2019-03-11
Release date:2019-04-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
6NWA
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THE STRUCTURE OF THE PHOTOSYSTEM I ISIA SUPER-COMPLEX
Descriptor:Photosystem I P700 chlorophyll a apoprotein A1, Photosystem I P700 chlorophyll a apoprotein A2, Photosystem I iron-sulfur center, ...
Authors:Toporik, H., Li, J., Williams, D., Chiu, P.L., Mazor, Y.
Deposit date:2019-02-06
Release date:2019-05-29
Last modified:2019-06-19
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:The structure of the stress-induced photosystem I-IsiA antenna supercomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NAO
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DISCOVERY OF A HIGH AFFINITY INHIBITOR OF CGAS
Descriptor:CYCLIC GMP-AMP SYNTHASE, ZINC ION, (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
6N8S
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CRYSTAL STRUCTURE OF THE HUMAN CELL POLARITY PROTEIN LETHAL GIANT LARVAE 2 (LGL2). APKC PHOSPHORYLATED, CRYSTAL FORM 3.
Descriptor:Lethal(2) giant larvae protein homolog 2
Authors:Almagor, L., Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N8R
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CRYSTAL STRUCTURE OF THE HUMAN CELL POLARITY PROTEIN LETHAL GIANT LARVAE 2 (LGL2). APKC PHOSPHORYLATED, CRYSTAL FORM 2.
Descriptor:Lethal(2) giant larvae protein homolog 2, CHLORIDE ION, GLYCEROL
Authors:Almagor, L., Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N8Q
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CRYSTAL STRUCTURE OF THE HUMAN CELL POLARITY PROTEIN LETHAL GIANT LARVAE 2 (LGL2). UNPHOSPHORYLATED, CRYSTAL FORM 2.
Descriptor:Lethal(2) giant larvae protein homolog 2, CHLORIDE ION, GLYCEROL
Authors:Almagor, L., Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N8P
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CRYSTAL STRUCTURE OF THE HUMAN CELL POLARITY PROTEIN LETHAL GIANT LARVAE 2 (LGL2). UNPHOSPHORYLATED, CRYSTAL FORM 1.
Descriptor:Lethal(2) giant larvae protein homolog 2, CHLORIDE ION
Authors:Almagor, L., Weis, W.I.
Deposit date:2018-11-30
Release date:2019-05-08
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (3.193 Å)
Cite:Structural insights into the aPKC regulatory switch mechanism of the human cell polarity protein lethal giant larvae 2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6N43
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CRYSTAL STRUCTURE OF CYSTEINE, NITRIC OXIDE-BOUND FERROUS FORM OF THE CROSSLINKED HUMAN CYSTEINE DIOXYGENASE IN THE ANAEROBIC CONDITION
Descriptor:Cysteine dioxygenase type 1, CYSTEINE, FE (III) ION, ...
Authors:Liu, A., Li, J.
Deposit date:2018-11-16
Release date:2019-04-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
6N42
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CRYSTAL STRUCTURE OF CYSTEINE-BOUND FERROUS FORM OF THE CROSSLINKED HUMAN CYSTEINE DIOXYGENASE IN THE ANAEROBIC CONDITION
Descriptor:Cysteine dioxygenase type 1, FE (II) ION, CYSTEINE, ...
Authors:Liu, A., Li, J.
Deposit date:2018-11-16
Release date:2019-04-17
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine.
Biochemistry, 58, 2019
6MX5
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CRYSTAL STRUCTURE OF H-NOX PROTEIN FROM NOSTOC SP.
Descriptor:Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weichsel, A., Kievenaar, J.A., Montfort, W.R.
Deposit date:2018-10-30
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of H-NOX domain from cyanobacteria Nostoc sp
to be published
6MG3
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V285A MUTANT OF THE C-TERMINAL BZIP DOMAIN OF HUMAN C/EBPBETA WITH 16BP METHYLATED OLIGONUCLEOTIDE CONTAINING CONSENSUS RECOGNITION SEQUENCE
Descriptor:CCAAT/enhancer-binding protein beta, 16-bp methylated oligonucleotide, 1,2-ETHANEDIOL
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 2018
6MG2
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C-TERMINAL BZIP DOMAIN OF HUMAN C/EBPBETA WITH 16BP METHYLATED OLIGONUCLEOTIDE CONTAINING CONSENSUS RECOGNITION SEQUENCE-C2221 CRYSTAL FORM
Descriptor:CCAAT/enhancer-binding protein beta, 16-bp methylated oligonucleotide, 1,2-ETHANEDIOL
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.928 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 2018
6MG1
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C-TERMINAL BZIP DOMAIN OF HUMAN C/EBPBETA WITH 16BP METHYLATED OLIGONUCLEOTIDE CONTAINING CONSENSUS RECOGNITION SEQUENCE-C2 CRYSTAL FORM
Descriptor:CCAAT/enhancer-binding protein beta, 16-bp methylated oligonucleotide, 1,2-ETHANEDIOL, ...
Authors:Horton, J.R., Cheng, X., Yang, J.
Deposit date:2018-09-12
Release date:2018-12-12
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6JRL
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CRYSTAL STRUCTURE OF DROSOPHILA ALPHA METHYLDOPA-RESISTANT PROTEIN/3,4-DIHYDROXYPHENYLACETALDEHYDE SYNTHASE
Descriptor:3,4-dihydroxyphenylacetaldehyde synthase
Authors:Wei, S., Vavrick, C.J., Guan, H., Liao, C., Robinson, H., Liang, J., Wang, D., Han, Q., Li, J.
Deposit date:2019-04-04
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the bifunctional mechanism of Drosophila alpha methyldopa-resistant protein/3,4-dihydroxyphenylacetaldehyde synthase
To Be Published
6JPJ
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CRYSTAL STRUCTURE OF FGF401 IN COMPLEX OF FGFR4
Descriptor:Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Zhou, Z., Chen, X., Chen, Y.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2019-06-05
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
6JMK
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RIBOSOMAL PROTEIN S7 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:30S ribosomal protein S7, GLYCEROL, 1,2-ETHANEDIOL
Authors:Li, Z., Li, J.
Deposit date:2019-03-11
Release date:2019-03-20
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the complex of trigger factor chaperone and ribosomal protein S7 from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 512, 2019
6JLS
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CRYSTAL STRUCTURE OF FMN-DEPENDENT CYSTEINE DECARBOXYLASES TVAF FROM THIOVIRIDAMIDE BIOSYNTHESIS
Descriptor:Putative flavoprotein decarboxylase, FLAVIN MONONUCLEOTIDE
Authors:Li, J., Lu, J., Wang, H., Zhu, J.
Deposit date:2019-03-06
Release date:2019-06-26
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis.
Org.Lett., 21, 2019
6JKM
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CRYSTAL STRUCTURE OF BUBR1 KINASE DOMAIN
Descriptor:Mitotic checkpoint control protein kinase BUB1, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, L., Ye, S., Huang, Y., Liu, X., Zhang, R., Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6JKK
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CRYSTAL STRUCTURE OF BUBR1 KINASE DOMAIN
Descriptor:Mitotic checkpoint control protein kinase BUB1, GLYCEROL, DI(HYDROXYETHYL)ETHER
Authors:Lin, L., Ye, S., Huang, Y., Liu, X., Zhang, R., Yao, X.
Deposit date:2019-03-01
Release date:2019-06-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6J0Z
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CRYSTAL STRUCTURE OF ALPK
Descriptor:Putative angucycline-like polyketide oxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Wang, W., Liu, Y., Liang, H.
Deposit date:2018-12-27
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin
Biochem. Biophys. Res. Commun., 510, 2019