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3JT1
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BU of 3jt1 by Molmil
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:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
3JSZ
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BU of 3jsz by Molmil
Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE
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
5UP2
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BU of 5up2 by Molmil
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: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GluN2B-specific Fab, ...
Authors:Lu, W, Du, J, Goehring, A, Gouaux, E.
Deposit date:2017-02-01
Release date:2017-03-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation.
Science, 355, 2017
5UOW
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BU of 5uow by Molmil
Triheteromeric NMDA receptor GluN1/GluN2A/GluN2B in complex with glycine, glutamate, MK-801 and a GluN2B-specific Fab, at pH 6.5
Descriptor: (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Lu, W, Du, J, Goehring, A, Gouaux, E.
Deposit date:2017-02-01
Release date:2017-03-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structures of the triheteromeric NMDA receptor and its allosteric modulation.
Science, 355, 2017
6UIW
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BU of 6uiw by Molmil
Cryo-EM structure of human CALHM2 in a ruthenium red-bound inhibited state
Descriptor: Calcium homeostasis modulator protein 2, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2)
Authors:Lu, W, Du, J, Choi, W.
Deposit date:2019-10-01
Release date:2019-11-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
6UIV
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BU of 6uiv by Molmil
Cryo-EM structure of human CALHM2 in an active/open state
Descriptor: Calcium homeostasis modulator protein 2
Authors:Lu, W, Du, J, Choi, W.
Deposit date:2019-10-01
Release date:2019-11-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
6UIX
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BU of 6uix by Molmil
Cryo-EM structure of human CALHM2 gap junction
Descriptor: Calcium homeostasis modulator protein 2
Authors:Lu, W, Du, J, Choi, W.
Deposit date:2019-10-01
Release date:2019-11-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
6CUD
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BU of 6cud by Molmil
Structure of the human TRPC3 in a lipid-occupied, closed state
Descriptor: (2R)-3-hydroxypropane-1,2-diyl dihexanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lu, W, Du, J, Fan, C, Choi, W.
Deposit date:2018-03-25
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the human lipid-gated cation channel TRPC3.
Elife, 7, 2018
6WBN
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BU of 6wbn by Molmil
Cryo-EM structure of human Pannexin 1 channel N255A mutant, gap junction
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ...
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBM
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BU of 6wbm by Molmil
Cryo-EM structure of human Pannexin 1 channel N255A mutant
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ...
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBL
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BU of 6wbl by Molmil
Cryo-EM structure of human Pannexin 1 channel with deletion of N-terminal helix and C-terminal tail, in complex with CBX
Descriptor: CARBENOXOLONE, Pannexin-1
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.13 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBI
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BU of 6wbi by Molmil
Cryo-EM structure of human Pannexin 1 channel with its C-terminal tail cleaved by caspase-7, in complex with CBX
Descriptor: CARBENOXOLONE, Pannexin-1
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2020-09-09
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBG
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BU of 6wbg by Molmil
Cryo-EM structure of human Pannexin 1 channel with its C-terminal tail cleaved by caspase-7
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBF
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BU of 6wbf by Molmil
Cryo-EM structure of wild type human Pannexin 1 channel
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6WBK
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BU of 6wbk by Molmil
Cryo-EM structure of human Pannexin 1 channel with deletion of N-terminal helix and C-terminal tail
Descriptor: Pannexin-1
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.01 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
7JNA
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BU of 7jna by Molmil
Cryo-EM structure of human proton-activated chloride channel PAC at pH 8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel
Authors:Lu, W, Ruan, R, Du, J.
Deposit date:2020-08-04
Release date:2020-11-11
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
7JNC
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BU of 7jnc by Molmil
cryo-EM structure of human proton-activated chloride channel PAC at pH 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel
Authors:Lu, W, Ruan, R, Du, J.
Deposit date:2020-08-04
Release date:2020-11-11
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
2ZJL
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BU of 2zjl by Molmil
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:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZJK
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BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2FDP
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BU of 2fdp by Molmil
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
3H6C
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BU of 3h6c by Molmil
Crystal structure of human alpha-defensin 1 (Mutant Gln22Ala)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Neutrophil defensin 1
Authors:Pazgier, M, Lu, W.
Deposit date:2009-04-23
Release date:2010-03-09
Last modified:2021-10-27
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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BU of 3hj2 by Molmil
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:2023-09-06
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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BU of 3hjd by Molmil
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:2023-09-06
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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BU of 3iwy by Molmil
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:2023-11-22
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
3LO2
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BU of 3lo2 by Molmil
Crystal structure of human alpha-defensin 1 (Y21A mutant)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Neutrophil defensin 1, SULFATE ION, ...
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010

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