Author results

5ZKQ
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH ABT-491
Descriptor:Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
6BR1
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH HETEROCYCLIC PYRIMIDINE COMPOUND 4A
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2017-11-29
Release date:2018-06-27
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRF
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH HETEROCYCLIC PYRIMIDINE COMPOUND 4B
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2017-11-30
Release date:2018-06-27
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH HETEROCYCLIC PYRIMIDINE COMPOUND 6A
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BS2
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH HETEROCYCLIC PYRIMIDINE COMPOUND 8B
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
4ZN2
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GLYCOSYL HYDROLASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:PslG
Authors:Su, T., Liu, S., Gu, L.
Deposit date:2015-05-04
Release date:2016-01-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix
Cell Res., 25, 2015
3UPR
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HLA-B*57:01 COMPLEXED TO PEP-V AND ABACAVIR
Descriptor:HLA class I histocompatibility antigen, B-57 alpha chain, pep-V, ...
Authors:Pompeu, Y.A., Ostrov, D.A.
Deposit date:2011-11-18
Release date:2012-06-13
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
5NAR
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-CARBAMOYL-1H-INDOL-3-YL)-AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
Descriptor:Complement factor D, SULFATE ION, (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-02-28
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NAW
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (1R,3S,5R)-2-AZA-BICYCLO[3.1.0]HEXANE-2,3-DICARBOXYLIC ACID 2-[(1-CARBAMOYL-1H-INDOL-3-YL)-AMIDE] 3-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
Descriptor:Complement factor D, (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-02-28
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NB6
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (2S,4S)-4-AMINO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-CARBAMOYL-1H-INDOL-3-YL)-AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
Descriptor:Complement factor D, (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NB7
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COMPLEMENT FACTOR D
Descriptor:Complement factor D, DIMETHYL SULFOXIDE, 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NBA
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (2S,4R)-4-FLUORO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-CARBAMOYL-1H-INDOL-3-YL)-AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
Descriptor:Complement factor D, (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-03-01
Release date:2017-06-28
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5XS4
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STRUCTURE OF COXSACKIEVIRUS A6 (CVA6) VIRUS A-PARTICLE
Descriptor:Genome polyprotein
Authors:Zheng, Q.B., He, M.Z., Xu, L.F., Yu, H., Li, S.W., Cheng, T.
Deposit date:2017-06-12
Release date:2017-09-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS5
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STRUCTURE OF COXSACKIEVIRUS A6 (CVA6) VIRUS PROCAPSID PARTICLE
Descriptor:Genome polyprotein
Authors:Zheng, Q.B., He, M.Z., Xu, L.F., Yu, H., Cheng, T., Li, S.W.
Deposit date:2017-06-12
Release date:2017-09-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS7
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STRUCTURE OF COXSACKIEVIRUS A6 (CVA6) VIRUS A-PARTICLE IN COMPLEX WITH THE NEUTRALIZING ANTIBODY FRAGMENT 1D5
Descriptor:Light chain of Fab 1D5, Heavy chain of Fab 1D5, Genome polyprotein
Authors:Zheng, Q.B., He, M.Z., Xu, L.F., Yu, H., Li, S.W., Cheng, T.
Deposit date:2017-06-12
Release date:2017-09-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5ZTM
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CRYSTAL STRUCTURE OF MLE DSRBDS IN COMPLEX WITH ROX2 (R2H1)
Descriptor:Dosage compensation regulator, non-coding mRNA sequence roX2
Authors:Lv, M.Q., Tang, Y.J.
Deposit date:2018-05-04
Release date:2019-03-06
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:Structural insights reveal the specific recognition of roX RNA by the dsRNA-binding domains of the RNA helicase MLE and its indispensable role in dosage compensation in Drosophila.
Nucleic Acids Res., 47, 2019
6AJ0
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THE STRUCTURE OF ENTEROVIRUS D68 MATURE VIRION
Descriptor:Viral protein 1, Virion protein 2, Capsid protein VP3, ...
Authors:Zheng, Q.B., Zhu, R., Xu, L.F., He, M.Z., Yan, X.D., Cheng, T., Li, S.W.
Deposit date:2018-08-25
Release date:2018-11-07
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ2
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THE STRUCTURE OF ICAM-5 TRIGGERED ENTEROVIRUS D68 VIRUS A-PARTICLE
Descriptor:Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Zheng, Q.B., Zhu, R., Xu, L.F., He, M.Z., Yan, X.D., Cheng, T., Li, S.W.
Deposit date:2018-08-26
Release date:2018-11-07
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ3
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THE STRUCTURE OF ENTEROVIRUS D68 PROCAPSID
Descriptor:Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Zheng, Q.B., Zhu, R., Xu, L.F., He, M.Z., Yan, X.D., Cheng, T., Li, S.W.
Deposit date:2018-08-26
Release date:2018-11-07
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ7
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THE STRUCTURE OF ENTEROVIRUS D68 MATURE VIRION IN COMPLEX WITH FAB 15C5
Descriptor:VL of Fab 15C5, VH of Fab 15C5, Capsid protein VP1, ...
Authors:Zheng, Q.B., Zhu, R., Xu, L.F., He, M.Z., Yan, X.D., Cheng, T., Li, S.W.
Deposit date:2018-08-27
Release date:2018-11-07
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6AJ9
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THE STRUCTURE OF ENTEROVIRUS D68 MATURE VIRION IN COMPLEX WITH FAB 15C5 AND 11G1
Descriptor:VL of Fab 11G1, VH of Fab 11G1, VL of Fab 15C5, ...
Authors:Zheng, Q.B., Zhu, R., Xu, L.F., He, M.Z., Yan, X.D., Cheng, T., Li, S.W.
Deposit date:2018-08-27
Release date:2018-11-07
Last modified:2018-12-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Atomic structures of enterovirus D68 in complex with two monoclonal antibodies define distinct mechanisms of viral neutralization
Nat Microbiol, 4, 2019
6J20
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J21
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
4NQF
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CRYSTAL STRUCTURE OF HEPN DOMAIN PROTEIN
Descriptor:Nucleotidyltransferase
Authors:Padavannil, A., Jobichen, C., Sivaraman, J.
Deposit date:2013-11-25
Release date:2014-03-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimerization of VirD2 Binding Protein Is Essential for Agrobacterium Induced Tumor Formation in Plants
Plos Pathog., 10, 2014
4XE9
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH OPTACTIN
Descriptor:Sialidase B, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published