Author results

2ZV6
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CRYSTAL STRUCTURE OF HUMAN SQUAMOUS CELL CARCINOMA ANTIGEN 1
Descriptor:Serpin B3
Authors:Zheng, B., Matoba, Y., Katagiri, C., Hibino, T., Sugiyama, M.
Deposit date:2008-11-01
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of SCCA1 and insight about the interaction with JNK1
Biochem.Biophys.Res.Commun., 380, 2009
3RJY
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CRYSTAL STRUCTURE OF HYPERTHERMOPHILIC ENDO-BETA-1,4-GLUCANASE IN COMPLEX WITH SUBSTRATE
Descriptor:Endoglucanase FnCel5A, ALPHA-D-GLUCOSE, PHOSPHATE ION
Authors:Zheng, B., Yang, W., Zhao, X., Wang, Y., Lou, Z., Rao, Z., Feng, Y.
Deposit date:2011-04-15
Release date:2012-02-08
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of hyperthermophilic Endo-beta-1,4-glucanase: Implications for catalytic mechanism and thermostability.
J.Biol.Chem., 287, 2012
4I3K
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH 1-HYDROXY-6-(4-HYDROXYBENZYL)-4-METHYLPYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zheng, B., Yao, Y., Liu, Z., Deng, L., Anglin, J.L., Jiang, H., Prasad, B.V.V., Song, Y.
Deposit date:2012-11-26
Release date:2013-05-22
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (3.3056 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
4I3L
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH 6-BENZYL-1-HYDROXY-4-METHYLPYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zheng, B., Yao, Y., Liu, Z., Deng, L., Anglin, J.L., Jiang, H., Prasad, B.V.V., Song, Y.
Deposit date:2012-11-26
Release date:2013-05-22
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
3MFQ
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A GLANCE INTO THE METAL BINDING SPECIFICITY OF TROA: WHERE ELABORATE BEHAVIORS OCCUR IN THE ACTIVE CENTER
Descriptor:High-affinity zinc uptake system protein znuA, ZINC ION
Authors:Gao, G.F., Zheng, B., Zhang, Q., Gao, J., Han, H., Li, M.
Deposit date:2010-04-03
Release date:2011-04-13
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Insight into the interaction of metal ions with TroA from Streptococcus suis
Plos One, 6, 2011
4XRX
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH (E)-5-((1-METHYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YLIDENE)METHYL)PYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one
Authors:Zheng, B., Wu, F., Jiang, H., Kogiso, M., Yao, Y., Zhou, C., Li, X., Song, Y.
Deposit date:2015-01-21
Release date:2015-12-09
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XS3
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CRYSTAL STRUCTURE OF A METABOLIC REDUCTASE WITH (E)-1-BENZYL-5-((1-METHYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YLIDENE)METHYL)PYRIDIN-2(1H)-ONE
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B., Wu, F., Jiang, H., Kogiso, M., Yao, Y., Zhou, C., Li, X., Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
5Z8J
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HUMAN MITOCHONDRIAL FERRITIN MUTANT - E27C/E62C/C102G/C130G
Descriptor:Ferritin, mitochondrial, GOLD ION
Authors:Zang, J., Zheng, B., Zhao, G.
Deposit date:2018-01-31
Release date:2019-02-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human mitochondrial ferritin mutant - E27C/E62C/C102G/C130G
To Be Published
5Z8S
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HUMAN MITOCHONDRIAL FERRITIN MUTANT - C102A/C130A/E27C/E61C/E62C
Descriptor:Ferritin, mitochondrial, GOLD ION
Authors:Zang, J., Zheng, B., Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structure of human mitochondrial ferritin mutant binding gold ions within intrasubunit
To Be Published
5Z8U
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HUMAN MITOCHONDRIAL FERRITIN MUTANT - C102A/C130A
Descriptor:Ferritin, mitochondrial, MAGNESIUM ION
Authors:Zang, J., Zheng, B., Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Mitochondrial ferritin mutant without cysteine
To Be Published
5Z91
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HUMAN MITOCHONDRIAL FERRITIN MUTANT BOUND WITH GOLD IONS
Descriptor:Ferritin, mitochondrial, GOLD ION, ...
Authors:Zang, J., Zheng, B., Zhao, G.
Deposit date:2018-02-01
Release date:2019-02-06
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Human mitochondrial ferritin mutant bound with gold ions
To Be Published
3RJX
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CRYSTAL STRUCTURE OF HYPERTHERMOPHILIC ENDO-BETA-1,4-GLUCANASE
Descriptor:Endoglucanase FnCel5A
Authors:Zheng, B.S., Yang, W., Zhao, X.Y., Wang, Y.G., Lou, Z.Y., Rao, Z.H., Feng, Y.
Deposit date:2011-04-15
Release date:2011-12-14
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of hyperthermophilic endo-beta-1,4-glucanase: implications for catalytic mechanism and thermostability.
J.Biol.Chem., 287, 2012
6BQJ
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CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor:NS3 protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ZINC ION, ...
Authors:Klei, H.E., Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6BQK
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CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor:NS3 protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, ZINC ION
Authors:Klei, H.E., Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
4GAE
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CRYSTAL STRUCTURE OF PLASMODIUM DXR IN COMPLEX WITH A PYRIDINE-CONTAINING INHIBITOR
Descriptor:1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Diao, J., Xue, J., Cai, G., Deng, L., Song, Y.
Deposit date:2012-07-25
Release date:2013-02-06
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
4NWK
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CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH BMS-605339 AKA N-(TERT-BUTOXYCARBONYL)-3-ME THYL-L-VALYL-(4R)-N-((1R,2S)-1-((CYCLOPROPYLSULFONYL)CARBA MOYL)-2-VINYLCYCLOPROPYL)-4-((6-METHOXY-1-ISOQUINOLINYL)OX Y)-L-PROLINAMIDE
Descriptor:HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ZINC ION, ...
Authors:Muckelbauer, J.K., Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
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CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH BMS-650032 AKA N-(TERT-BUTOXYCARBONYL)-3-ME THYL-L-VALYL-(4R)-4-((7-CHLORO-4-METHOXY-1-ISOQUINOLINYL)O XY)-N-((1R,2S)-1-((CYCLOPROPYLSULFONYL)CARBAMOYL)-2-VINYLC YCLOPROPYL)-L-PROLINAMIDE
Descriptor:HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K., Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
5FA5
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CRYSTAL STRUCTURE OF PRMT5:MEP50 IN COMPLEX WITH MTA AND H4 PEPTIDE
Descriptor:Protein arginine N-methyltransferase 5, Methylosome protein 50, Histone H4, ...
Authors:Sprague, E.R., McNamara, J.T.
Deposit date:2015-12-10
Release date:2016-02-24
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Disordered methionine metabolism in MTAP/CDKN2A-deleted cancers leads to dependence on PRMT5.
Science, 351, 2016
5H3W
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THE STRUCTURE OF THE C-TERMINAL OF THE FIBRONECTIN/FIBRINOGEN-BINDING PROTEIN FROM STREPTOCOCCUS SUIS (FBPS)
Descriptor:Fibronectin/fibrinogen binding protein
Authors:Musyoki, A.M., Qi, J., Gao, G.F.
Deposit date:2016-10-27
Release date:2016-11-16
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of an anchorless fibronectin-binding protein FBPS from Gram-positive bacterium Streptococcus suis
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5H3X
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THE STRUCTURE OF THE N-TERMINAL OF THE FIBRONECTIN/FIBRINOGEN-BINDING PROTEIN FROM STREPTOCOCCUS SUIS (FBPS)
Descriptor:Fibronectin/fibrinogen binding protein
Authors:MokiMusyoki, A., Qi, J., Gao, G.F.
Deposit date:2016-10-27
Release date:2016-11-16
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional analysis of an anchorless fibronectin-binding protein FBPS from Gram-positive bacterium Streptococcus suis
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5HGU
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CRYSTAL STRUCTURE OF HUMAN TRANSCRIPTION FACTOR TEAD2 IN COMPLEX WITH PALMITATE
Descriptor:Transcriptional enhancer factor TEF-4, PALMITIC ACID
Authors:Luo, X., Xiao, H.
Deposit date:2016-01-08
Release date:2016-02-17
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Autopalmitoylation of TEAD proteins regulates transcriptional output of the Hippo pathway.
Nat.Chem.Biol., 12, 2016