Author results

4MT9
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CO-CRYSTAL STRUCTURE OF TANKYRASE 1 WITH COMPOUND 49
Descriptor:Tankyrase-1, ZINC ION, N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5WUK
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CRYSTAL STRUCTURE OF EED [G255D] IN COMPLEX WITH EZH2 PEPTIDE AND EED226 COMPOUND
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, GLYCEROL, ...
Authors:Chen, Z.
Deposit date:2016-12-19
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Split luciferase-based biosensors for characterizing EED binders
Anal. Biochem., 522, 2017
5CHL
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STRUCTURAL BASIS OF H2A.Z RECOGNITION BY YL1 HISTONE CHAPERONE COMPONENT OF SRCAP/SWR1 CHROMATIN REMODELING COMPLEX
Descriptor:Vacuolar protein sorting-associated protein 72 homolog, Histone H2A.Z
Authors:Shan, S., Liang, X., Pan, L., Wu, C., Zhou, Z.
Deposit date:2015-07-10
Release date:2016-03-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
2OK3
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X-RAY STRUCTURE OF HUMAN CYCLOPHILIN J AT 2.0 ANGSTROM
Descriptor:Peptidyl-prolyl cis-trans isomerase-like 3, NICKEL (II) ION
Authors:Xia, Z.
Deposit date:2007-01-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
3H1J
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STIGMATELLIN-BOUND CYTOCHROME BC1 COMPLEX FROM CHICKEN
Descriptor:MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN I, MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN 2, Cytochrome b, ...
Authors:Zhang, Z., Huang, L., Shulmeister, V.M., Chi, Y.-I., Kim, K.K., Hung, L.-W., Crofts, A.R., Berry, E.A., Kim, S.-H.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
4K4E
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CO-CRYSTAL STRUCTURE OF TNKS1 WITH COMPOUND 52 [N~2-(5-CHLORO-2-METHOXYPHENYL)-N-[TRANS-4-(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)CYCLOHEXYL]GLYCINAMIDE]
Descriptor:Tankyrase-1, ZINC ION, N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide
Authors:Huang, X.
Deposit date:2013-04-12
Release date:2013-06-05
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4K4F
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CO-CRYSTAL STRUCTURE OF TNKS1 WITH COMPOUND 18 [4-[(4S)-5,5-DIMETHYL-2-OXO-4-PHENYL-1,3-OXAZOLIDIN-3-YL]-N-(QUINOLIN-8-YL)BENZAMIDE]
Descriptor:Tankyrase-1, ZINC ION, 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide
Authors:Huang, X., Bregman, H., Wilson, C., DiMauro, E., Gunaydin, H.
Deposit date:2013-04-12
Release date:2013-06-05
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5BPP
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STRUCTURE OF HUMAN LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH INHIBITOR 4AZ
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Huang, J., Dong, N.N., Xiao, Q., Ou, P.Y., Wu, D., Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
1F4V
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CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
Descriptor:CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, MAGNESIUM ION, ...
Authors:Lee, S.Y., Cho, H.S., Pelton, J.G., Yan, D., Henderson, R.K., King, D., Huang, L.S., Kustu, S., Berry, E.A., Wemmer, D.E.
Deposit date:2000-06-10
Release date:2001-01-17
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
3H1K
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CHICKEN CYTOCHROME BC1 COMPLEX WITH ZN++ AND AN IODINATED DERIVATIVE OF KRESOXIM-METHYL BOUND
Descriptor:MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN I, MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN 2, Cytochrome b, ...
Authors:Berry, E.A., Zhang, Z., Bellamy, H.D., Huang, L.S.
Deposit date:2009-04-12
Release date:2009-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Crystallographic location of two Zn(2+)-binding sites in the avian cytochrome bc(1) complex
Biochim.Biophys.Acta, 1459, 2000
5DH3
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CRYSTAL STRUCTURE OF MST2 IN COMPLEX WITH XMU-MP-1
Descriptor:Serine/threonine-protein kinase 3, 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, ...
Authors:Kong, L.L., Yun, C.H.
Deposit date:2015-08-29
Release date:2016-08-31
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
1S13
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HUMAN HEME OXYGENASE OXIDATITION OF ALPHA- AND GAMMA-MESO-PHENYLHEMES
Descriptor:Heme oxygenase 1, 2-PHENYLHEME
Authors:Wang, J., Niemevz, F., Lad, L., Buldain, G., Poulos, T.L., Ortiz de Montellano, P.R.
Deposit date:2004-01-05
Release date:2004-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Human heme oxygenase oxidation of 5- and 15-phenylhemes.
J.Biol.Chem., 279, 2004
1T5P
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HUMAN HEME OXYGENASE OXIDATION OF ALPHA- AND GAMMA-MESO-PHENYLHEMES
Descriptor:Heme oxygenase 1, 12-PHENYLHEME
Authors:Wang, J., Niemevz, F., Lad, L., Buldain, G., Poulos, T.L., Ortiz de Montellano, P.R.
Deposit date:2004-05-05
Release date:2004-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Human heme oxygenase oxidation of 5- and 15-phenylhemes.
J.Biol.Chem., 279, 2004
4GMB
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CRYSTAL STRUCTURE OF HUMAN WD REPEAT DOMAIN 5 WITH COMPOUND MM-402
Descriptor:WD repeat-containing protein 5, MM-402
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:2014-02-19
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 2017
1Y9X
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SOLUTION STRUCTURE OF ARCHAEON DNA-BINDING PROTEIN SSH10B
Descriptor:DNA/RNA-binding protein Alba 1
Authors:Cui, Q., Tong, Y., Wang, J.
Deposit date:2004-12-16
Release date:2005-06-21
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A stabilizing alpha/beta-hydrophobic core greatly contributes to hyperthermostability of archaeal [P62A]Ssh10b.
Biochemistry, 47, 2008
2XTJ
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THE CRYSTAL STRUCTURE OF PCSK9 IN COMPLEX WITH 1D05 FAB
Descriptor:PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
Authors:Di Marco, S., Volpari, C., Carfi, A.
Deposit date:2010-10-10
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo.
J.Lipid Res., 52, 2011
3WBM
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CRYSTAL STRUCTURE OF PROTEIN-RNA COMPLEX
Descriptor:DNA/RNA-binding protein Alba 1, RNA (25-MER)
Authors:Ding, J., Wang, D.C.
Deposit date:2013-05-20
Release date:2013-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural insights into RNA binding by Ssh10b, a member of the highly conserved Sac10b family in Archaea
J.Biol.Chem., 2013
4WYH
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CRYSTAL STRUCTURE OF PRIX FROM THE HYPERTHERMOPHILIC ARCHAEON SULFOLOBUS SOLFATARICUS
Descriptor:Uncharacterized protein, IODIDE ION
Authors:Ouyang, S.
Deposit date:2014-11-17
Release date:2015-06-24
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A primase subunit essential for efficient primer synthesis by an archaeal eukaryotic-type primase.
Nat Commun, 6, 2015
5VFC
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WDR5 BOUND TO INHIBITOR MM-589
Descriptor:WD repeat-containing protein 5, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2017-04-07
Release date:2017-06-28
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
6B41
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MENIN BOUND TO M-525
Descriptor:Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate
Authors:Stuckey, J.A.
Deposit date:2017-09-25
Release date:2018-01-24
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Angew. Chem. Int. Ed. Engl., 57, 2018
2LJK
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SOLUTION STRUCTURE OF THE ONCOGENIC-POTENTIAL MIEN1 PROTEIN
Descriptor:Protein C17orf37
Authors:Chang, C., Hsu, C.
Deposit date:2011-09-19
Release date:2012-10-24
Method:SOLUTION NMR
Cite:Solution structure of the oncogenic-potential MIEN1 protein reveals a thioredoxin-like fold with redox potential
To be Published
3DIG
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CRYSTAL STRUCTURE OF THE THERMOTOGA MARITIMA LYSINE RIBOSWITCH BOUND TO S-(2-AMINOETHYL)-L-CYSTEINE
Descriptor:RNA (174-MER), POTASSIUM ION, SODIUM ION, ...
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
3DIL
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CRYSTAL STRUCTURE OF THE THERMOTOGA MARITIMA LYSINE RIBOSWITCH BOUND TO LYSINE
Descriptor:RNA (174-MER), LYSINE, POTASSIUM ION, ...
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
3DIM
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CRYSTALLIZATION OF THE THERMOTOGA MARITIMA LYSINE RIBOSWITCH BOUND TO LYSINE, CS+ SOAK
Descriptor:RNA (174-MER), CESIUM ION, SODIUM ION, ...
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008
3DIO
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CRYSTALLIZATION OF THE THERMOTOGA MARITIMA LYSINE RIBOSWITCH BOUND TO LYSINE, IRIDIUM HEXAMINE SOAK
Descriptor:RNA (174-MER), POTASSIUM ION, SODIUM ION, ...
Authors:Serganov, A.A.
Deposit date:2008-06-20
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into amino acid binding and gene control by a lysine riboswitch.
Nature, 455, 2008