Author results

4X5P
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CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH A BENZOYL-AMIDOPHENYL ALPHA-D-MANNOPYRANOSIDE
Descriptor:Protein FimH, 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid
Authors:Preston, R.C., Jakob, R.P., Fiege, B., Zihlmann, P., Rabbani, S., Schwardt, O., Jiang, X., Ernst, B., Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (0.997 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4CSS
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CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH A SULFONAMIDE BIPHENYL ALPHA D-MANNOSIDE
Descriptor:PROTEIN FIMH, 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL
Authors:Kleeb, S., Pang, L., Mayer, K., Sigl, A., Eris, D., Preston, R.C., Zihlmann, P., Abgottspon, D., Hutter, A., Scharenberg, M., Jian, X., Navarra, G., Rabbani, S., Smiesko, M., Luedin, N., Jakob, R.P., Schwardt, O., Maier, T., Sharpe, T., Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
4CST
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CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH 3'-CHLORO-4'-(ALPHA-D-MANNOPYRANOSYLOXY)-BIPHENYL-4-CARBONITRILE
Descriptor:PROTEIN FIMH, 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile
Authors:Kleeb, S., Pang, L., Mayer, K., Sigl, A., Eris, D., Preston, R.C., Zihlmann, P., Abgottspon, D., Hutter, A., Scharenberg, M., Jian, X., Navarra, G., Rabbani, S., Smiesko, M., Luedin, N., Jakob, R.P., Schwardt, O., Maier, T., Sharpe, T., Ernst, B.
Deposit date:2014-03-10
Release date:2015-02-25
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
6DI1
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CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Descriptor:Tyrosine-protein kinase BTK, 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
Authors:Jiang, X.
Deposit date:2018-05-22
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
4X5Q
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CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH 5-NITRO-INDOLINYLPHENYL ALPHA-D-MANNOPYRANOSIDE
Descriptor:Protein FimH, 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside
Authors:Preston, R.C., Jakob, R.P., Fiege, B., Zihlmann, P., Rabbani, S., Schwardt, O., Jiang, X., Ernst, B., Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4RLZ
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CRYSTAL STRUCTURE OF NOROVIRUS OIF P DOMAIN
Descriptor:Capsid protein, GLYCEROL
Authors:Liu, W., Chen, Y., Tan, M., Xia, M., Li, X., Jiang, X., Rao, Z.
Deposit date:2014-10-18
Release date:2015-06-24
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface.
Plos Pathog., 11, 2015
4RDL
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CRYSTAL STRUCTURE OF NOROVIRUS BOXER P DOMAIN IN COMPLEX WITH LEWIS Y TETRASACCHARIDE
Descriptor:Capsid, ALPHA-L-FUCOSE, BETA-D-GALACTOSE, ...
Authors:Hao, N., Chen, Y., Xia, M., Liu, W., Tan, M., Jiang, X., Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope
Protein Cell, 2014
4RDJ
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CRYSTAL STRUCTURE OF NOROVIRUS BOXER P DOMAIN
Descriptor:Capsid
Authors:Hao, N., Chen, Y., Xia, M., Liu, W., Tan, M., Jiang, X., Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope
Protein Cell, 2014
4ZW9
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CRYSTAL STRUCTURE OF HUMAN GLUT3 BOUND TO D-GLUCOSE IN THE OUTWARD-OCCLUDED CONFORMATION AT 1.5 ANGSTROM
Descriptor:Solute carrier family 2, facilitated glucose transporter member 3, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Deng, D., Sun, P.C., Yan, C.Y., Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
4ESR
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MOLECULAR AND STRUCTURAL CHARACTERIZATION OF THE SH3 DOMAIN OF AHI-1 IN REGULATION OF CELLULAR RESISTANCE OF BCR-ABL+ CHRONIC MYELOID LEUKEMIA CELLS TO TYROSINE KINASE INHIBITORS
Descriptor:Jouberin, DI(HYDROXYETHYL)ETHER
Authors:Van Petegem, X.F., Liu, P.X., Lobo, P., Jiang, X.
Deposit date:2012-04-23
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Molecular and structural characterization of the SH3 domain of AHI-1 in regulation of cellular resistance of BCR-ABL(+) chronic myeloid leukemia cells to tyrosine kinase inhibitors.
Proteomics, 12, 2012
3UJI
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2558 IN COMPLEX WITH MN PEPTIDE
Descriptor:Light chain of anti-HIV-1 V3 monoclonal antibody 2558, Fab region of the heavy chain of anti-HIV-1 V3 monoclonal antibody 2558, Envelope glycoprotein gp160, ...
Authors:Kong, X.P.
Deposit date:2011-11-07
Release date:2011-12-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Human Anti-V3 HIV-1 Monoclonal Antibodies Encoded by the VH5-51/VL Lambda Genes Define a Conserved Antigenic Structure.
Plos One, 6, 2011
5U5T
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH H3K27ME3 PEPTIDE AND 3-(BENZO[D][1,3]DIOXOL-4-YLMETHYL)PIPERIDINE-1-CARBOXIMIDAMIDE
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, ...
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
4RDK
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CRYSTAL STRUCTURE OF NOROVIRUS BOXER P DOMAIN IN COMPLEX WITH LEWIS B TETRASACCHARIDE
Descriptor:Capsid, ALPHA-L-FUCOSE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Hao, N., Chen, Y., Xia, M., Liu, W., Tan, M., Jiang, X., Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope
Protein Cell, 2014
4X5R
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CRYSTAL STRUCTURE OF FIMH IN COMPLEX WITH A SQUARYL-PHENYL ALPHA-D-MANNOPYRANOSIDE DERIVATIVE
Descriptor:Protein FimH, 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, SULFATE ION
Authors:Preston, R.C., Jakob, R.P., Fiege, B., Zihlmann, P., Rabbani, S., Schwardt, O., Jiang, X., Ernst, B., Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4GV3
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STRUCTURES OF LASSA AND TACARIBE VIRAL NUCLEOPROTEINS WITH OR WITHOUT 5 TRIPHOSPHATE DSRNA SUBSTRATE REVEAL A UNIQUE 3 -5 EXORIBONUCLEASE MECHANISM TO SUPPRESS TYPE I INTERFERON PRODUCTION
Descriptor:RNA (5'-R(*(GTP)P*GP*GP*C)-3'), RNA (5'-R(P*CP*GP*CP*CP*C)-3'), Nucleoprotein, ...
Authors:Jiang, X., Huang, Q., Wang, W., Dong, H., Ly, H., Liang, Y., Dong, C.
Deposit date:2012-08-30
Release date:2013-05-01
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structures of Arenaviral Nucleoproteins with Triphosphate dsRNA Reveal a Unique Mechanism of Immune Suppression.
J.Biol.Chem., 288, 2013
3MLY
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 3074 IN COMPLEX WITH A UR29 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
5JDS
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CRYSTAL STRUCTURE OF PD-L1 COMPLEXED WITH A NANOBODY AT 1.7 ANGSTRON RESOLUTION
Descriptor:Nanobody, Programmed cell death 1 ligand 1, SODIUM ION, ...
Authors:Zhou, A., Wei, H.
Deposit date:2016-04-17
Release date:2017-04-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of a novel PD-L1 nanobody for immune checkpoint blockade.
Cell Discov, 3, 2017
4GVE
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TACARIBE NUCLEOPROTEIN STRUCTURE
Descriptor:Nucleoprotein, ZINC ION, MAGNESIUM ION
Authors:Jiang, X., Huang, Q., Wang, W., Dong, H., Ly, H., Liang, Y., Dong, C.
Deposit date:2012-08-30
Release date:2013-05-01
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structures of Arenaviral Nucleoproteins with Triphosphate dsRNA Reveal a Unique Mechanism of Immune Suppression.
J.Biol.Chem., 288, 2013
5WBH
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STRUCTURE OF THE FRB DOMAIN OF MTOR BOUND TO A SUBSTRATE RECRUITMENT PEPTIDE OF S6K1
Descriptor:Serine/threonine-protein kinase mTOR, Ribosomal protein S6 kinase beta-1
Authors:Pavletich, N.P., Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
4Q77
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CRYSTAL STRUCTURE OF ROT, A GLOBAL REGULATOR OF VIRULENCE GENES IN STAPHYLOCOCCUS AUREUS
Descriptor:HTH-type transcriptional regulator rot, GLYCEROL
Authors:Zhu, Y., Fan, X., Li, X., Teng, M.
Deposit date:2014-04-24
Release date:2014-09-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of Rot, a global regulator of virulence genes in Staphylococcus aureus
Acta Crystallogr.,Sect.D, 70, 2014
3MLR
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2557 IN COMPLEX WITH A NY5 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
5U5H
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE
Descriptor:Polycomb protein EED, (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL
Authors:Bussiere, D., Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5WYP
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CRYSTAL STRUCTURE OF DNA POLYMERASE SLIDING CLAMP FROM CAULOBACTER CRESCENTUS
Descriptor:DNA polymerase III subunit beta
Authors:Jiang, X., Zhang, L., Teng, M., Li, X.
Deposit date:2017-01-15
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of DNA polymerase sliding clamp from Caulobacter crescentus
To Be Published
5XVA
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CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH216
Descriptor:Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone, ETHANOL
Authors:Zhao, F., Li, H.
Deposit date:2017-06-27
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
3GO1
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CRYSTAL STRUCTURE OF ANTI-HIV-1 FAB 268-D IN COMPLEX WITH V3 PEPTIDE MN
Descriptor:Fab 268-D, light chain, heavy chain, ...
Authors:Kong, X.P., Burke, V.J.
Deposit date:2009-03-18
Release date:2010-06-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010