Author results

5HA9
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CRYSTAL STRUCTURE-BASED DESIGN AND DISOVERY OF A NOVEL PARP1 ANTIAGONIST (BL-PA10) THAT INDUCES APOPTOSIS AND INHIBITS METASTASIS IN TRIPLE NEGATIVE BREAST CANCER
Descriptor:Poly [ADP-ribose] polymerase 1, GLYCEROL, SULFATE ION, ...
Authors:Fu, L., Peng, H., Zhang, L., Ouyang, L.
Deposit date:2015-12-30
Release date:2016-03-09
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
5JYY
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STRUCTURE-BASED TETRAVALENT ZANAMIVIR WITH POTENT INHIBITORY ACTIVITY AGAINST DRUG-RESISTANT INFLUENZA VIRUSES
Descriptor:Neuraminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fu, L., Wu, Y., Bi, Y., Zhang, S., Lv, X., Qi, J., Li, Y., Lu, X., Yan, J., Gao, G.F., Li, X.
Deposit date:2016-05-15
Release date:2016-06-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses
J.Med.Chem., 59, 2016
7C6S
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CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH BOCEPREVIR
Descriptor:3C-like proteinase, boceprevir (bound form)
Authors:Fu, L., Feng, Y.
Deposit date:2020-05-22
Release date:2020-09-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
To Be Published
7C6U
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CRYSTAL STRUCTURE OF SARS-COV-2 COMPLEXED WITH GC376
Descriptor:3C-like proteinase, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Authors:Fu, L., Feng, Y., Qi, J., Gao, F.G.
Deposit date:2020-05-22
Release date:2020-09-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of SARS-CoV-2 complexed with GC376
To Be Published
5H4D
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CRYSTAL STRUCTURE OF HSIRT3 IN COMPLEX WITH A SPECIFIC AGONIST AMIODARONE HYDROCHLORIDE
Descriptor:NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ARG-HIS-LYS, ...
Authors:Zhang, S., Fu, L., Liu, J., Liu, B.
Deposit date:2016-10-31
Release date:2017-11-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
To Be Published
4KMA
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CRYSTAL STRUCTURE OF DROSOPHILA SUPPRESSOR OF FUSED
Descriptor:GM14141p
Authors:Zhang, Y., Qi, X., Zhang, Z., Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
7C2L
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S PROTEIN OF SARS-COV-2 IN COMPLEX BOUND WITH 4A8
Descriptor:Spike glycoprotein, heavy chain of 4A8, light chain of 4A8, ...
Authors:Yan, R.H., Zhang, Y.Y., Guo, Y.Y., Li, Y.N., Xia, L., Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2020-08-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
4L72
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CRYSTAL STRUCTURE OF MERS-COV COMPLEXED WITH HUMAN DPP4
Descriptor:Dipeptidyl peptidase 4, MERS-CoV RBD, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q., Wang, N.S.
Deposit date:2013-06-13
Release date:2013-08-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
4ZS6
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RECEPTOR BINDING DOMAIN AND FAB COMPLEX
Descriptor:fab Light Chain, fab Heavy Chain, S protein, ...
Authors:Yu, X., Wang, X.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Structural basis for the neutralization of MERS-CoV by a human monoclonal antibody MERS-27
Sci Rep, 5, 2015
6Z9B
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HUMAN ECTO-5'-NUCLEOTIDASE (CD73) IN COMPLEX WITH AOPCP DERIVATIVE A830 (COMPOUND 16 IN PUBLICATION) IN THE CLOSED FORM (CRYSTAL FORM III)
Descriptor:5'-nucleotidase, ZINC ION, CALCIUM ION, ...
Authors:Strater, N., Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 2020
6Z9D
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HUMAN ECTO-5'-NUCLEOTIDASE (CD73) IN COMPLEX WITH AOPCP DERIVATIVE AB680 (COMPOUND 55 IN PUBLICATION) IN THE CLOSED FORM (CRYSTAL FORM III)
Descriptor:5'-nucleotidase, ZINC ION, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-06-03
Release date:2020-09-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 2020
6PNX
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CRYSTAL STRUCTURE OF AN ASYMMETRIC DIMER OF FGF RECEPTOR 3 KINASES TRAPPED IN A-LOOP TYROSINE TRANSPHOSPHORYLATION REACTION
Descriptor:Fibroblast growth factor receptor 3, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Mohammadi, M.
Deposit date:2019-07-03
Release date:2020-01-22
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Molecular basis for receptor tyrosine kinase A-loop tyrosine transphosphorylation.
Nat.Chem.Biol., 16, 2020
4KM8
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CRYSTAL STRUCTURE OF SUFUD60
Descriptor:Suppressor of fused homolog
Authors:Zhang, Y., Qi, X., Zhang, Z., Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KM9
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CRYSTAL STRUCTURE OF HUMAN SUPPRESSOR OF FUSED
Descriptor:Suppressor of fused homolog
Authors:Zhang, Y., Qi, X., Zhang, Z., Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KMD
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CRYSTAL STRUCTURE OF SUFUD60-GLI1P
Descriptor:Sufu, Zinc finger protein GLI1, GLYCEROL, ...
Authors:Zhang, Y., Qi, X., Zhang, Z., Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4KMH
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CRYSTAL STRUCTURE OF SUPPRESSOR OF FUSED D20
Descriptor:Suppressor of fused homolog
Authors:Zhang, Y., Qi, X., Zhang, Z., Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
5W21
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CRYSTAL STRUCTURE OF A 1:1:1 FGF23-FGFR1C-AKLOTHO TERNARY COMPLEX
Descriptor:Klotho, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ...
Authors:Mohammadi, M.
Deposit date:2017-06-05
Release date:2018-01-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:alpha-Klotho is a non-enzymatic molecular scaffold for FGF23 hormone signalling.
Nature, 553, 2018
6ICW
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT AH-SGTQ (A138S, V186G, P221T AND L226Q) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICX
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT AH-AGPL (V186G) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ICY
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-AGTL ( V186G, P221T) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-07
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID2
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-AVTL (P221T) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID3
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-SGPL ( A138S, V186G) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID5
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-SVPL ( A138S) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-08
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID8
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-SVTL ( A138S, P221T) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-09
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
6ID9
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ MUTANT H7-SGTL ( A138S, V186G, P221T) FROM THE INFLUENZA VIRUS A/ANHUI/1/2013 (H7N9)
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, 2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gao, G.F., Xu, Y., Qi, J.X.
Deposit date:2018-09-09
Release date:2019-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin.
Cell Rep, 29, 2019
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169436
PDB entries from 2020-09-30