Author results

5Y1Y
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COMPLEX STRUCTURE OF NITROXOLINE WITH THE FIRST BROMODOMAIN OF BRD4
Descriptor:Bromodomain-containing protein 4, 5-nitroquinolin-8-ol
Authors:Jiang, H., Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
5B6G
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, SULFATE ION, ...
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-05-27
Release date:2017-05-31
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ6
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, SULFATE ION, ...
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ8
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, TRIETHYLENE GLYCOL
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ9
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZA
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PROTEIN-PROTEIN INTERACTION
Descriptor:Adenomatous polyposis coli protein, ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2
Authors:Zhao, Y., Jiang, H., Yang, X., Jiang, F., Song, K., Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5XM2
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HUMAN N-TERMINAL DOMAIN OF FACT COMPLEX SUBUNIT SPT16
Descriptor:FACT complex subunit SPT16, GLYCEROL, DI(HYDROXYETHYL)ETHER
Authors:Xu, S., Li, H., Dou, Y., Chen, Y., Jiang, H., Lu, D., Wang, M., Su, D.
Deposit date:2017-05-12
Release date:2018-05-16
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
6MS7
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PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGAND BINDING DOMAIN IN COMPLEX WITH A NOVEL SELECTIVE PPAR-GAMMA MODULATOR VSP-77
Descriptor:Peroxisome proliferator-activated receptor gamma, PGC1 LXXLL motif, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
Authors:Yi, W., Jiang, H., Zhou, X.E., Shi, J., Zhao, G., Zhang, X., Sun, Y., Suino-Powell, K., Li, J., Li, J., Melcher, K., Xu, H.E.
Deposit date:2018-10-16
Release date:2019-10-23
Last modified:2020-04-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
7BV1
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CRYO-EM STRUCTURE OF THE APO NSP12-NSP7-NSP8 COMPLEX
Descriptor:nsp12, nsp8, nsp7, ...
Authors:Yin, W., Mao, C., Luan, X., Shen, D., Shen, Q., Su, H., Wang, X., Zhou, F., Zhao, W., Gao, M., Chang, S., Xie, Y.C., Tian, G., Jiang, H.W., Tao, S.C., Shen, J., Jiang, Y., Jiang, H., Xu, Y., Zhang, S., Zhang, Y., Xu, H.E.
Deposit date:2020-04-09
Release date:2020-04-22
Last modified:2020-07-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
7BV2
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THE NSP12-NSP7-NSP8 COMPLEX BOUND TO THE TEMPLATE-PRIMER RNA AND TRIPHOSPHATE FORM OF REMDESIVIR(RTP)
Descriptor:nsp12, nsp8, nsp7, ...
Authors:Yin, W., Mao, C., Luan, X., Shen, D., Shen, Q., Su, H., Wang, X., Zhou, F., Zhao, W., Gao, M., Chang, S., Xie, Y.C., Tian, G., Jiang, H.W., Tao, S.C., Shen, J., Jiang, Y., Jiang, H., Xu, Y., Zhang, S., Zhang, Y., Xu, H.E.
Deposit date:2020-04-09
Release date:2020-04-22
Last modified:2020-07-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
4IAQ
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF 5-HT1B-BRIL IN COMPLEX WITH DIHYDROERGOTAMINE (PSI COMMUNITY TARGET)
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
Authors:Wang, C., Jiang, Y., Ma, J., Wu, H., Wacker, D., Katritch, V., Han, G.W., Liu, W., Huang, X., Vardy, E., McCorvy, J.D., Gao, X., Zhou, E.X., Melcher, K., Zhang, C., Bai, F., Yang, H., Yang, L., Jiang, H., Roth, B.L., Cherezov, V., Stevens, R.C., Xu, H.E., GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4IAR
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CRYSTAL STRUCTURE OF THE CHIMERIC PROTEIN OF 5-HT1B-BRIL IN COMPLEX WITH ERGOTAMINE (PSI COMMUNITY TARGET)
Descriptor:Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Wang, C., Jiang, Y., Ma, J., Wu, H., Wacker, D., Katritch, V., Han, G.W., Liu, W., Huang, X., Vardy, E., McCorvy, J.D., Gao, X., Zhou, E.X., Melcher, K., Zhang, C., Bai, F., Yang, H., Yang, L., Jiang, H., Roth, B.L., Cherezov, V., Stevens, R.C., Xu, H.E., GPCR Network (GPCR)
Deposit date:2012-12-07
Release date:2013-03-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
4ZWJ
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CRYSTAL STRUCTURE OF RHODOPSIN BOUND TO ARRESTIN BY FEMTOSECOND X-RAY LASER
Descriptor:Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y., Zhou, X.E., Gao, X., He, Y., Liu, W., Ishchenko, A., Barty, A., White, T.A., Yefanov, O., Han, G.W., Xu, Q., de Waal, P.W., Ke, J., Tan, M.H.E., Zhang, C., Moeller, A., West, G.M., Pascal, B., Eps, N.V., Caro, L.N., Vishnivetskiy, S.A., Lee, R.J., Suino-Powell, K.M., Gu, X., Pal, K., Ma, J., Zhi, X., Boutet, S., Williams, G.J., Messerschmidt, M., Gati, C., Zatsepin, N.A., Wang, D., James, D., Basu, S., Roy-Chowdhury, S., Conrad, C., Coe, J., Liu, H., Lisova, S., Kupitz, C., Grotjohann, I., Fromme, R., Jiang, Y., Tan, M., Yang, H., Li, J., Wang, M., Zheng, Z., Li, D., Howe, N., Zhao, Y., Standfuss, J., Diederichs, K., Dong, Y., Potter, C.S., Carragher, B., Caffrey, M., Jiang, H., Chapman, H.N., Spence, J.C.H., Fromme, P., Weierstall, U., Ernst, O.P., Katritch, V., Gurevich, V.V., Griffin, P.R., Hubbell, W.L., Stevens, R.C., Cherezov, V., Melcher, K., Xu, H.E., GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
6LZE
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR 11A
Descriptor:Replicase polyprotein 1ab, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B., Zhang, Y., Jing, Z., Liu, X., Yang, H., Liu, H., Rao, Z., Jiang, H.
Deposit date:2020-02-19
Release date:2020-04-29
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
6M0K
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR 11B
Descriptor:Replicase polyprotein 1ab, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B., Zhao, Y., Jin, Z., Liu, X., Yang, H., Liu, H., Rao, Z., Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
3PCU
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CRYSTAL STRUCTURE OF HUMAN RETINOIC X RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED WITH LX0278 AND SRC1 PEPTIDE
Descriptor:Retinoic acid receptor RXR-alpha, Nuclear receptor coactivator 2, 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
Authors:Zhang, H., Zhang, Y., Shen, H., Chen, J., Li, C., Chen, L., Hu, L., Jiang, H., Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
5XEZ
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STRUCTURE OF THE FULL-LENGTH GLUCAGON CLASS B G PROTEIN-COUPLED RECEPTOR
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, Antibody, mAb1, ...
Authors:Zhang, H., Qiao, A., Yang, D., Yang, L., Dai, A., de Graaf, C., Reedtz-Runge, S., Dharmarajan, V., Zhang, H., Han, G.W., Grant, T., Sierra, R., Weierstall, U., Nelson, G., Liu, W., Wu, Y., Ma, L., Cai, X., Lin, G., Wu, X., Geng, Z., Dong, Y., Song, G., Griffin, P., Lau, J., Cherezov, V., Yang, H., Hanson, M., Stevens, R., Jiang, H., Wang, M., Zhao, Q., Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5XF1
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STRUCTURE OF THE FULL-LENGTH GLUCAGON CLASS B G PROTEIN-COUPLED RECEPTOR
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, Antibody mAb1 Heavy chain, Antibody mAb1 Light chain, ...
Authors:Zhang, H., Qiao, A., Yang, D., Yang, L., Dai, A., de Graaf, C., Reedtz-Runge, S., Dharmarajan, V., Zhang, H., Han, G.W., Grant, T., Sierra, R., Weierstall, U., Nelson, G., Liu, W., Wu, Y., Ma, L., Cai, X., Lin, G., Wu, X., Geng, Z., Dong, Y., Song, G., Griffin, P., Lau, J., Cherezov, V., Yang, H., Hanson, M., Stevens, R., Jiang, H., Wang, M., Zhao, Q., Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5YQZ
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STRUCTURE OF THE GLUCAGON RECEPTOR IN COMPLEX WITH A GLUCAGON ANALOGUE
Descriptor:Glucagon receptor,Endolysin,Glucagon receptor, Glucagon analogue, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H., Qiao, A., Yang, L., VAN EPS, N., Frederiksen, K., Yang, D., Dai, A., Cai, X., Zhang, H., Yi, C., Can, C., He, L., Yang, H., Lau, J., Ernst, O., Hanson, M., Stevens, R., Wang, M., Seedtz-Runge, S., Jiang, H., Zhao, Q., Wu, B.
Deposit date:2017-11-08
Release date:2018-01-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
3DOY
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3I
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DOZ
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3K
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP0
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3M
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP1
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3N
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP2
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3J
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP3
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CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3Q
Descriptor:(3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION, BENZAMIDINE, ...
Authors:Zhang, L., He, L., Liu, X., Liu, H., Shen, X., Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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數據於2020-09-23公開中