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6CDE
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CRYO-EM STRUCTURE AT 3.8 A RESOLUTION OF VACCINE-ELICITED ANTIBODY VFP20.01 IN COMPLEX WITH HIV-1 ENV BG505 DS-SOSIP, AND ANTIBODIES VRC03 AND PGT122
Descriptor:vFP20.01 Heavy Chain, vFP20.01 Light chain, PGT122 Heavy chain, ...
Authors:Acharya, P., Xu, K., Liu, K., Carragher, B., Potter, C.S., Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDI
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CRYO-EM STRUCTURE AT 3.6 A RESOLUTION OF VACCINE-ELICITED ANTIBODY VFP16.02 IN COMPLEX WITH HIV-1 ENV BG505 DS-SOSIP, AND ANTIBODIES VRC03 AND PGT122
Descriptor:Glycoprotein gp41, Glycoprotein 120, PGT122 Light Chain, ...
Authors:Acharya, P., Xu, K., Liu, K., Carragher, B., Potter, C.S., Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDM
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STRUCTURE OF VACCINE-ELICITED HIV-1 NEUTRALIZING ANTIBODY VFP7.04 IN COMPLEX WITH HIV-1 FUSION PEPTIDE RESIDUE 512-519
Descriptor:vFP7.04 heavy chain, vFP7.04 light chain, HIV fusion peptide (512-519)
Authors:Xu, K., Liu, K., Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDO
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STRUCTURE OF VACCINE-ELICITED HIV-1 NEUTRALIZING ANTIBODY VFP16.02 IN COMPLEX WITH HIV-1 FUSION PEPTIDE RESIDUE 512-519
Descriptor:vFP16.02 Fab heavy chain, vFP16.02 Fab light chain, HIV-1 fusion peptide 512-519, ...
Authors:Xu, K., Liu, K., Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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VACCINE-ELICITED HIV-1 NEUTRALIZING ANTIBODY VFP20.01 IN COMPLEX WITH HIV-1 FUSION PEPTIDE RESIDUE 512-519
Descriptor:vFP20.01 Fab heavy chain, vFP20.01 Fab light chain, HIV-1 fusion peptide 512-519, ...
Authors:Xu, K., Liu, K., Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
4XT9
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RORGAMMA (263-509) COMPLEXED WITH GSK2435341A AND SRC2
Descriptor:Nuclear receptor ROR-gamma, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, ...
Authors:Wang, Y., Ma, Y.
Deposit date:2015-01-23
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
5Z4Y
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CRYSTAL STRUCTURE OF PACYSB NTD DOMAIN WITH SPACE GROUP P4
Descriptor:Cys regulon transcriptional activator, GLYCEROL
Authors:Yang, C., Liang, H., Gan, J.
Deposit date:2018-01-18
Release date:2019-01-23
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5Z4Z
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CRYSTAL STRUCTURE OF PACYSB NTD DOMAIN WITH SPACE GROUP C2
Descriptor:Transcriptional regulator CysB, SULFATE ION
Authors:Yang, C., Liang, H., Gan, J.
Deposit date:2018-01-15
Release date:2019-01-23
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5Z50
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CRYSTAL STRUCTURE OF PACYSB REGULATORY DOMAIN
Descriptor:Cys regulon transcriptional activator, SULFATE ION, GLYCEROL
Authors:Yang, C., Liang, H., Gan, J.
Deposit date:2018-01-15
Release date:2019-01-23
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa.
Mol.Microbiol., 111, 2019
5ZKP
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CRYSTAL STRUCTURE OF THE HUMAN PLATELET-ACTIVATING FACTOR RECEPTOR IN COMPLEX WITH SR 27417
Descriptor:Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, FLAVIN MONONUCLEOTIDE
Authors:Cao, C., Zhao, Q., Zhang, X.C., Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018
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
6JN2
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CRYSTAL STRUCTURE OF THE COILED-COIL DOMAINS OF HUMAN DOT1L IN COMPLEX WITH AF10
Descriptor:Protein AF-10, Histone-lysine N-methyltransferase, H3 lysine-79 specific
Authors:Song, X., Wang, M., Yang, N., Xu, R.M.
Deposit date:2019-03-13
Release date:2019-09-18
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:A higher-order configuration of the heterodimeric DOT1L-AF10 coiled-coil domains potentiates their leukemogenenic activity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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:2019-12-04
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:2019-12-04
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:2019-12-04
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:2019-12-04
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
5VZ2
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STRUCTURE OF CLPP FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH ACYLDEPSIPEPTIDE
Descriptor:ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
Authors:Griffith, E.C., Lee, R.E.
Deposit date:2017-05-26
Release date:2017-06-21
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
5W18
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STAPHYLOCOCCUS AUREUS CLPP IN COMPLEX WITH (S)-N-((2R,6S,8AS,14AS,20S,23AS)-2,6-DIMETHYL-5,8,14,19,23-PENTAOXOOCTADECAHYDRO-1H,5H,14H,19H-PYRIDO[2,1-I]DIPYRROLO[2,1-C:2',1'-L][1]OXA[4,7,10,13]TETRAAZACYCLOHEXADECIN-20-YL)-3-PHENYL-2-(3-PHENYLUREIDO)PROPANAMIDE
Descriptor:ATP-dependent Clp protease proteolytic subunit, 9V7-PHE-SER-PRO-YCP-ALA-MP8
Authors:Lee, R.E., Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
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
5NAT
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COMPLEMENT FACTOR D IN COMPLEX WITH THE INHIBITOR (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-[(1-METHYL-1H-INDOL-3-YL)-AMIDE] 2-[(3-TRIFLUOROMETHOXY-PHENYL)-AMIDE]
Descriptor:Complement factor D, GLYCEROL, (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Authors:Mac Sweeney, A., Ostermann, N.
Deposit date:2017-02-28
Release date:2018-03-21
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.17 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