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5WWX
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CRYSTAL STRUCTURE OF THE KH2 DOMAIN OF HUMAN RNA-BINDING E3 UBIQUITIN-PROTEIN LIGASE MEX-3C COMPLEX WITH RNA
Descriptor:RNA-binding E3 ubiquitin-protein ligase MEX3C, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), NICKEL (II) ION
Authors:Yang, L., Wang, C., Li, F., Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WWW
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CRYSTAL STRUCTURE OF THE KH1 DOMAIN OF HUMAN RNA-BINDING E3 UBIQUITIN-PROTEIN LIGASE MEX-3C COMPLEX WITH RNA
Descriptor:RNA-binding E3 ubiquitin-protein ligase MEX3C, RNA (5'-R(*GP*UP*UP*UP*AP*G)-3')
Authors:Yang, L., Wang, C., Li, F., Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WQ1
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SOLUTION STRUCTURE OF THE FIRST STEM-LOOP OF ESCHERICHIA COLI DSRA RNA
Descriptor:DsrA-SL1
Authors:Wu, P., Wu, J., Shi, Y.
Deposit date:2016-11-22
Release date:2017-07-05
Last modified:2017-11-01
Method:SOLUTION NMR
Cite:The important conformational plasticity of DsrA sRNA for adapting multiple target regulation
Nucleic Acids Res., 45, 2017
5TKK
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STRUCTURE OF MOUSE VACCINATION-ELICITED HIV NEUTRALIZING ANTIBODY VFP5.01 IN COMPLEX WITH HIV-1 FUSION PEPTIDE RESIDUE 512-519
Descriptor:HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
Authors:Xu, K., Liu, K., Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5TKJ
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STRUCTURE OF VACCINE-ELICITED DIVERSE HIV-1 NEUTRALIZING ANTIBODY VFP1.01 IN COMPLEX WITH HIV-1 FUSION PEPTIDE RESIDUE 512-519
Descriptor:vFP1.01 chimeric mouse antibody heavy chain, vFP1.01 chimeric mouse antibody light chain, HIV-1 fusion peptide residue 512-519, ...
Authors:Xu, K., Liu, K., Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5T09
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THE STRUCTURE OF THE TYPE III EFFECTOR HOPBA1
Descriptor:Type III secretion system effector HopBA1, POTASSIUM ION, CHLORIDE ION
Authors:Cherkis, K., Machius, M., Nishimura, M.T., Dangl, J.L.
Deposit date:2016-08-15
Release date:2017-02-01
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:TIR-only protein RBA1 recognizes a pathogen effector to regulate cell death in Arabidopsis.
Proc. Natl. Acad. Sci. U.S.A., 114, 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
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
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
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
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
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
5BU3
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CRYSTAL STRUCTURE OF DIELS-ALDERASE PYRI4 IN COMPLEX WITH ITS PRODUCT
Descriptor:PyrI4, GLYCEROL, (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione
Authors:Pan, L., Guo, Y., Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
5BTU
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THE STRUCTURE OF DIELS-ALDERASE PYRI4 IN THE BIOSYNTHETIC PATHWAY OF PYRROINDOMYCINS
Descriptor:PyrI4, GLYCEROL, DI(HYDROXYETHYL)ETHER
Authors:Pan, L., Guo, Y., Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
4ZXK
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CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NANA SIALIDASE
Descriptor:Sialidase A
Authors:Yang, L., Connaris, H., Potter, J.A., Taylor, G.L.
Deposit date:2015-05-20
Release date:2015-05-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
To Be Published
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
4XYX
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NANB PLUS OPTACTAMIDE
Descriptor:Sialidase B, Optactamide, PHOSPHATE ION
Authors:Rogers, G.W., Brear, P., Yang, L., Taylor, G.L., Westwood, N.J.
Deposit date:2015-02-03
Release date:2016-02-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
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
4XOG
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH OPTACTIN AND DANA
Descriptor:Sialidase B, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, ...
Authors:Brear, P.
Deposit date:2015-01-16
Release date:2016-02-03
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMI
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CRYSTAL STRUCTURE OF THE K499G MUTANT OF NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE
Descriptor:Sialidase B, DIMETHYL SULFOXIDE, PHOSPHATE ION
Authors:Brear, P.
Deposit date:2015-01-14
Release date:2016-01-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMA
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CRYSTAL STRUCTURE OF THE K499G MUTANT OF NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH OPTACTIN
Descriptor:Sialidase B, DIMETHYL SULFOXIDE, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid
Authors:Brear, P.
Deposit date:2015-01-14
Release date:2016-02-03
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJZ
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CRYSTAL STRUCTURE OF APO NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE AT PH 7.4 IN PBS WITH DMSO
Descriptor:Sialidase B, PHOSPHATE ION, DIMETHYL SULFOXIDE
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH OPTACTIN AT PH 7.4 IN PBS WITH DMSO AS THE CRYOPROTECTANT
Descriptor:Sialidase B, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJU
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH 4-ACETAMIDO-2-FLUORO-3-HYDROXY-6-[1,2-DIHYDROXYETHYL]-7,8-DIOXABICYCLO[3.2.1]OCTANE-1-CARBOXYLIC ACID
Descriptor:Sialidase B, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJA
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH 5-ACETAMIDO-2,3-DIFLUORO-3-HYDROXY-6-[1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID
Descriptor:Sialidase B, (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published