Author results

3JSZ
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LEGIONELLA PNEUMOPHILA GLUCOSYLTRANSFERASE LGT1 N293A WITH UDP-GLC
Descriptor:Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE, MAGNESIUM ION
Authors:Lu, W., Du, J., Belyi, Y., Stahl, M., Zivilikidis, T., Gerhardt, S., Aktories, K., Einsle, O.
Deposit date:2009-09-11
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
3JT1
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LEGIONELLA PNEUMOPHILA GLUCOSYLTRANSFERASE LGT1, UDP-BOUND FORM
Descriptor:Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE
Authors:Lu, W., Du, J., Belyi, Y., Stahl, M., Zivilikidis, T., Gerhardt, S., Aktories, K., Einsle, O.
Deposit date:2009-09-11
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
5UOW
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TRIHETEROMERIC NMDA RECEPTOR GLUN1/GLUN2A/GLUN2B IN COMPLEX WITH GLYCINE, GLUTAMATE, MK-801 AND A GLUN2B-SPECIFIC FAB, AT PH 6.5
Descriptor:N-methyl-D-aspartate receptor subunit NR1-8a, N-methyl-D-aspartate receptor subunit NR2A, Ionotropic glutamate receptor subunit NR2B, ...
Authors:Lu, W., Du, J., Goehring, A., Gouaux, E.
Deposit date:2017-02-01
Release date:2017-03-22
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation.
Science, 355, 2017
5UP2
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TRIHETEROMERIC NMDA RECEPTOR GLUN1/GLUN2A/GLUN2B IN COMPLEX WITH GLYCINE, GLUTAMATE, RO 25-6981, MK-801 AND A GLUN2B-SPECIFIC FAB, AT PH 6.5
Descriptor:N-methyl-D-aspartate receptor subunit NR1-8a, N-methyl-D-aspartate receptor subunit NR2A, Ionotropic glutamate receptor subunit NR2B, ...
Authors:Lu, W., Du, J., Goehring, A., Gouaux, E.
Deposit date:2017-02-01
Release date:2017-03-22
Last modified:2017-11-08
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation.
Science, 355, 2017
6CUD
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STRUCTURE OF THE HUMAN TRPC3 IN A LIPID-OCCUPIED, CLOSED STATE
Descriptor:Short transient receptor potential channel 3, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (2R)-3-hydroxypropane-1,2-diyl dihexanoate, ...
Authors:Lu, W., Du, J., Fan, C., Choi, W.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2018-05-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the human lipid-gated cation channel TRPC3.
Elife, 7, 2018
2FDP
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CRYSTAL STRUCTURE OF BETA-SECRETASE COMPLEXED WITH AN AMINO-ETHYLENE INHIBITOR
Descriptor:Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
Authors:Yang, W., Lu, W., Lu, Y., Zhong, M., Sun, J., Thomas, A.E., Wilkinson, J.M., Fucini, R.V., Lam, M., Randal, M., Shi, X.P., Jacobs, J.W., McDowell, R.S., Gordon, E.M., Ballinger, M.D.
Deposit date:2005-12-14
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
2ZJK
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CRYSTAL STRUCTURE OF THE HUMAN BACE1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(4-FLUORO-BENZYL)-PIPERAZINE-2-CARBOXYLIC ACID(3-MERCAPTO-PROPYL)-AMIDE
Descriptor:Beta-secretase 1, (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
Authors:Randal, M., Lam, M.B., Lu, W., Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJL
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CRYSTAL STRUCTURE OF THE HUMAN BACE1 CATALYTIC DOMAIN IN COMPLEX WITH N-[1-(5-BROMO-2,3-DIMETHOXY-BENZYL)-PIPERIDIN-4-YL]-4-MERCAPTO-BUTYRAMIDE
Descriptor:Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M., Lam, M.B., Lu, W., Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
3H6C
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (MUTANT GLN22ALA)
Descriptor:Neutrophil defensin 1, DI(HYDROXYETHYL)ETHER, CHLORIDE ION
Authors:Pazgier, M., Lu, W.
Deposit date:2009-04-23
Release date:2010-03-09
Last modified:2011-08-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3HJ2
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CRYSTAL STRUCTURE OF COVALENT DIMER OF HNP1
Descriptor:HUMAN NEUTROPHIL PEPTIDE 1
Authors:Lubkowski, J., Pazgier, M., Lu, W.
Deposit date:2009-05-20
Release date:2009-10-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP1?
To be Published
3HJD
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X-RAY STRUCTURE OF MONOMERIC VARIANT OF HNP1
Descriptor:Human neutrophil peptide 1
Authors:Lubkowski, J., Pazgier, M., Lu, W.
Deposit date:2009-05-21
Release date:2009-10-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP?
To be Published
3IWY
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CRYSTAL STRUCTURE OF HUMAN MDM2 COMPLEXED WITH D-PEPTIDE (12 RESIDUES)
Descriptor:D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
Authors:Pazgier, M., Lu, W.
Deposit date:2009-09-03
Release date:2010-04-21
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
3LNZ
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CRYSTAL STRUCTURE OF HUMAN MDM2 WITH A 12-MER PEPTIDE INHIBITOR PMI (N8A MUTANT)
Descriptor:E3 ubiquitin-protein ligase Mdm2, 12-mer peptide inhibitor, CHLORIDE ION
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.
J.Mol.Biol., 398, 2010
3LO1
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (Y16A MUTANT)
Descriptor:Neutrophil defensin 1, 2-(2-METHOXYETHOXY)ETHANOL, AZIDE ION
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LO2
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (Y21A MUTANT)
Descriptor:Neutrophil defensin 1, (4S)-2-METHYL-2,4-PENTANEDIOL, trifluoroacetic acid, ...
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LO4
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (R24A MUTANT)
Descriptor:Neutrophil defensin 1, DI(HYDROXYETHYL)ETHER, CHLORIDE ION
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-08-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LO6
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (W26ABA MUTANT)
Descriptor:Neutrophil defensin 1, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LO9
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (W26AHP MUTANT)
Descriptor:Neutrophil defensin 1
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LOE
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (F28A MUTANT)
Descriptor:Neutrophil defensin 1, SULFATE ION, GLYCEROL
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LVX
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN 1 (I6A MUTANT)
Descriptor:Neutrophil defensin 1, SULFATE ION, GLYCEROL
Authors:Pazgier, M., Lu, W.
Deposit date:2010-02-22
Release date:2010-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
6K04
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CRYSTAL STRUCTURE OF BRD2(BD2)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
6K05
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CRYSTAL STRUCTURE OF BRD2(BD1)WITH LIGAND BY27 BOUND
Descriptor:Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Lu, T., Lu, W., Chen, D., Zhao, Y., Luo, C.
Deposit date:2019-05-05
Release date:2019-09-18
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
1ZMH
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CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL PEPTIDE 2, HNP-2 (VARIANT GLY16-> D-ALA)
Descriptor:Neutrophil defensin 2, SULFATE ION, HEXAETHYLENE GLYCOL, ...
Authors:Lubkowski, J., Prahl, A., Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMI
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CRYSTAL STRUCTURE OF HUMAN ALPHA_DEFENSIN-2 (VARIANT GLY16->D-ALA), P 32 2 1 SPACE GROUP )
Descriptor:Neutrophil defensin 2, GLYCEROL, SULFATE ION
Authors:Lubkowski, J., Prahl, A., Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMK
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CRYSTAL STRUCTURE OF HUMAN ALPHA-DEFENSIN-2 (VARIANT GLY16-> D-ALA), P 42 21 2 SPACE GROUP
Descriptor:Neutrophil defensin 2, CHLORIDE ION, GLYCEROL
Authors:Lubkowski, J., Prahl, A., Lu, W.
Deposit date:2005-05-10
Release date:2005-08-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005