Author results

6BG3
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STRUCTURE OF (3S,4S)-1-BENZYL-4-(3-(3-(TRIFLUOROMETHYL)PHENYL)UREIDO)PIPERIDIN-3-YL ACETATE BOUND TO DCN1
Descriptor:Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
6BG5
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STRUCTURE OF 1-(BENZO[D][1,3]DIOXOL-5-YLMETHYL)-1-(1-PROPYLPIPERIDIN-4-YL)-3-(3-(TRIFLUOROMETHYL)PHENYL)UREA BOUND TO DCN1
Descriptor:Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K., Schulman, B.A., Scott, D.C., Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
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
3P64
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TIME-DEPENDENT AND PROTEIN-DIRECTED IN SITU GROWTH OF GOLD NANOPARTICLES IN A SINGLE CRYSTAL OF LYSOZYME
Descriptor:Lysozyme C, GOLD 3+ ION, GOLD ION, ...
Authors:Wei, H., Wang, Z., Zhang, J., House, S., Gao, Y.-G., Yang, L., Robinson, H., Tan, L.H., Xing, H., Hou, C., Robertson, I.M., Zuo, J.-M., Lu, Y.
Deposit date:2010-10-11
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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
3P66
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TIME-DEPENDENT AND PROTEIN-DIRECTED IN SITU GROWTH OF GOLD NANOPARTICLES IN A SINGLE CRYSTAL OF LYSOZYME
Descriptor:Lysozyme C, GOLD 3+ ION
Authors:Wei, H., Wang, Z., Zhang, J., House, S., Gao, Y.-G., Yang, L., Robinson, H., Tan, L.H., Xing, H., Hou, C., Robertson, I.M., Zuo, J.-M., Lu, Y.
Deposit date:2010-10-11
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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
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
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
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
3P4Z
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TIME-DEPENDENT AND PROTEIN-DIRECTED IN SITU GROWTH OF GOLD NANOPARTICLES IN A SINGLE CRYSTAL OF LYSOZYME
Descriptor:Lysozyme C, GOLD ION, CHLORIDE ION, ...
Authors:Wei, H., Wang, Z., Zhang, J., House, S., Gao, Y.-G., Yang, L., Robinson, H., Tan, L.H., Xing, H., Hou, C., Robertson, I.M., Zuo, J.-M., Lu, Y.
Deposit date:2010-10-07
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
3P68
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TIME-DEPENDENT AND PROTEIN-DIRECTED IN SITU GROWTH OF GOLD NANOPARTICLES IN A SINGLE CRYSTAL OF LYSOZYME
Descriptor:Lysozyme C, GOLD 3+ ION
Authors:Wei, H., Wang, Z., Zhang, J., House, S., Gao, Y.-G., Yang, L., Robinson, H., Tan, L.H., Xing, H., Hou, C., Robertson, I.M., Zuo, J.-M., Lu, Y.
Deposit date:2010-10-11
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
5YNM
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CRYSTAL STRUCTURE OF MERS-COV NSP16/NSP10 COMPLEX BOUND TO SAM AND M7GPPPA
Descriptor:nsp16 protein, nsp10 protein, S-ADENOSYLMETHIONINE, ...
Authors:Wei, S.M., Yang, L., Ke, Z.H., Guo, D.Y., Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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
5YNF
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CRYSTAL STRUCTURE OF MERS-COV NSP16/NSP10 COMPLEX BOUND TO M7GPPPA
Descriptor:nsp16 protein, nsp10 protein, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, ...
Authors:Wei, S.M., Yang, L., Ke, Z.H., Chen, Y., Guo, D.Y.
Deposit date:2017-10-24
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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
4XIO
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CRYSTAL STRUCTURE OF APO NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE AT PH 8.0 WITH MPD AS THE CRYOPROTECTANT
Descriptor:Sialidase B
Authors:Brear, P.
Deposit date:2015-01-07
Release date:2016-01-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4C1W
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CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NANA SIALIDASE COMPLEXED WITH 3'-SIALYLLACTOSE
Descriptor:NEURAMINIDASE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
Authors:Yang, L., Connaris, H., Potter, J.A., Taylor, G.L.
Deposit date:2013-08-14
Release date:2014-08-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Prevention of Influenza by Targeting Host Receptors Using Engineered Proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C1X
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CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NANA SIALIDASE COMPLEXED WITH 6'-SIALYLLACTOSE
Descriptor:SIALIDASE A, BETA-D-GLUCOSE, BETA-D-GALACTOSE, ...
Authors:Yang, L., Connaris, H., Potter, J.A., Taylor, G.L.
Deposit date:2013-08-14
Release date:2014-09-10
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Characterization of the Carbohydrate-Binding Module of Nana Sialidase, a Pneumococcal Virulence Factor.
Bmc Struct.Biol., 15, 2015
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
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
5YNN
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CRYSTAL STRUCTURE OF MERS-COV NSP16/NSP10COMPLEX BOUND TO SINEFUNGIN AND M7GPPPG
Descriptor:nsp16 protein, nsp10 protein, SINEFUNGIN, ...
Authors:Wei, S.M., Yang, L., Ke, Z.H., Guo, D.Y., Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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
4XHB
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CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH PENTANEDIOL AND CHES
Descriptor:Sialidase B, (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
Authors:Brear, P.
Deposit date:2015-01-05
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
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