Author results

3V6L
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CRYSTAL STRUCTURE OF CASPASE-6 INACTIVATION MUTATION
Descriptor:Caspase-6
Authors:Cao, Q., Wang, X.J., Liu, D.F., Li, L.F., Su, X.D.
Deposit date:2011-12-20
Release date:2012-03-28
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
3V6M
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INHIBITION OF CASPASE-6 ACTIVITY BY SINGLE MUTATION OUTSIDE THE ACTIVE SITE
Descriptor:Caspase-6
Authors:Cao, Q., Wang, X.J., Liu, D.F., Li, L.F., Su, X.D.
Deposit date:2011-12-20
Release date:2012-03-28
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
4IYR
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CRYSTAL STRUCTURE OF FULL-LENGTH CASPASE-6 ZYMOGEN
Descriptor:Caspase-6
Authors:Cao, Q., Wang, X.-J., Li, L.-F., Su, X.-D.
Deposit date:2013-01-29
Release date:2014-01-15
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:The regulatory mechanism of the caspase 6 pro-domain revealed by crystal structure and biochemical assays
Acta Crystallogr.,Sect.D, 70, 2014
6BCS
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LILRB2 D1D2 DOMAINS COMPLEXED WITH BENZAMIDINE
Descriptor:Leukocyte immunoglobulin-like receptor subfamily B member 2, BENZAMIDINE, CHLORIDE ION, ...
Authors:Cao, Q., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2017-10-20
Release date:2018-09-05
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibiting amyloid-beta cytotoxicity through its interaction with the cell surface receptor LilrB2 by structure-based design.
Nat Chem, 10, 2018
3L87
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THE CRYSTAL STRUCTURE OF SMU.143C FROM STREPTOCOCCUS MUTANS UA159
Descriptor:Peptide deformylase, FE (III) ION
Authors:Su, X.-D., Cao, Q., Liu, X.
Deposit date:2009-12-30
Release date:2011-01-05
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of smu.143c from Streptococcus mutans UA159
TO BE PUBLISHED
3L9T
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THE CRYSTAL STRUCTURE OF SMU.31 FROM STREPTOCOCCUS MUTANS UA159
Descriptor:Putative uncharacterized protein smu.31, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Su, X.-D., Cao, Q., Liu, X.
Deposit date:2010-01-05
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:The Crystal Structure of smu.31 from Streptococcus mutans UA159
TO BE PUBLISHED
3OD5
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CRYSTAL STRUCTURE OF ACTIVE CASPASE-6 BOUND WITH AC-VEID-CHO
Descriptor:Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO, CACODYLATE ION
Authors:Wang, X.-J., Liu, X., Wang, K.-T., Cao, Q., Su, X.-D.
Deposit date:2010-08-11
Release date:2010-10-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
6CB9
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SEGMENT AALQSS FROM THE LOW COMPLEXITY DOMAIN OF TDP-43, RESIDUES 328-333
Descriptor:AALQSS
Authors:Guenther, E.L., Cao, Q., Lu, J., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
6CEW
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SEGMENT AMMAAA FROM THE LOW COMPLEXITY DOMAIN OF TDP-43, RESIDUES 321-326
Descriptor:AMMAAA
Authors:Guenther, E.L., Cao, Q., Lu, J., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-02-12
Release date:2018-04-18
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
6CF4
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SEGMENT NFGTFS, WITH FAMILIAL MUTATION A315T AND PHOSPHORYLATED THREONINE, FROM THE LOW COMPLEXITY DOMAIN OF TDP-43, RESIDUES 312-317
Descriptor:NFGTFS
Authors:Guenther, E.L., Cao, Q., Boyer, D.R., Sawaya, M.R., Eisenberg, D.S.
Deposit date:2018-02-13
Release date:2018-05-23
Last modified:2018-06-13
Method:ELECTRON CRYSTALLOGRAPHY (0.75 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
3H42
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CRYSTAL STRUCTURE OF PCSK9 IN COMPLEX WITH FAB FROM LDLR COMPETITIVE ANTIBODY
Descriptor:Proprotein convertase subtilisin/kexin type 9, Fab from LDLR competitive antibody: Light chain, Fab from LDLR competitive antibody: Heavy chain, ...
Authors:Piper, D.E., Walker, N.P.C., Romanow, W.G., Thibault, S.T., Tsai, M.M., Yang, E.
Deposit date:2009-04-17
Release date:2009-05-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
1Z1L
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THE CRYSTAL STRUCTURE OF THE PHOSPHODIESTERASE 2A CATALYTIC DOMAIN
Descriptor:cGMP-dependent 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ...
Authors:Ding, Y.H., Kohls, D., Low, C.
Deposit date:2005-03-04
Release date:2005-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
3I6D
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CRYSTAL STRUCTURE OF PPO FROM BACILLUS SUBTILIS WITH AF
Descriptor:Protoporphyrinogen oxidase, FLAVIN-ADENINE DINUCLEOTIDE, 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, ...
Authors:Shen, Y.
Deposit date:2009-07-06
Release date:2009-12-08
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into unique properties of protoporphyrinogen oxidase from Bacillus subtilis
J.Struct.Biol., 170, 2010
3K3I
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P38ALPHA BOUND TO NOVEL DGF-OUT COMPOUND PF-00215955
Descriptor:Mitogen-activated protein kinase 14, (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
3K3J
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P38ALPHA BOUND TO NOVEL DFG-OUT COMPOUND PF-00416121
Descriptor:Mitogen-activated protein kinase 14, 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
3NR2
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CRYSTAL STRUCTURE OF CASPASE-6 ZYMOGEN
Descriptor:Caspase-6
Authors:Su, X.-D., Wang, X.-J., Liu, X., Mi, W., Wang, K.-T.
Deposit date:2010-06-30
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
5G5J
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CRYSTAL STRUCTURE OF HUMAN CYP3A4 BOUND TO METFORMIN
Descriptor:CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
5MHC
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CRYSTAL STRUCTURE OF 14-3-3SIGMA AND A P53 C-TERMINAL 12-MER SYNTHETIC PHOSPHOPEPTIDE
Descriptor:14-3-3 protein sigma, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, CALCIUM ION, ...
Authors:Andrei, S., Ottmann, C., Leysen, S.
Deposit date:2016-11-24
Release date:2017-10-04
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5MOC
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CRYSTAL STRUCTURE OF 14-3-3SIGMA AND A P53 C-TERMINAL 12-MER SYNTHETIC PHOSPHOPEPTIDE
Descriptor:14-3-3 protein sigma, p53 C-terminal domain, CHLORIDE ION, ...
Authors:Andrei, S., Ottmann, C., Leysen, S.
Deposit date:2016-12-14
Release date:2017-10-04
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5MXO
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CRYSTAL STRUCTURE OF 14-3-3SIGMA AND A P53 C-TERMINAL 12-MER SYNTHETIC PHOSPHOPEPTIDE STABILIZED BY FUSICOCCIN-A
Descriptor:14-3-3 protein sigma, p53 C-terminal 12 amino acids, FUSICOCCIN, ...
Authors:Andrei, S., Ottmann, C., Leysen, S.
Deposit date:2017-01-24
Release date:2017-11-08
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5N1V
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CRYSTAL STRUCTURE OF THE PROTEIN KINASE CK2 CATALYTIC SUBUNIT IN COMPLEX WITH PYRAZOLO-PYRIMIDINE MACROCYCLIC LIGAND
Descriptor:Casein kinase II subunit alpha, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1Z
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE MACROCYCLIC LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N21
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CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYRAZOLO-PYRIMIDINE LIGAND
Descriptor:B-cell lymphoma 6 protein, CHLORIDE ION, 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
Authors:Robb, G., Ferguson, A., Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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