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PDB: 336 results
6YXJ
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BU of 6yxj by Molmil
Crystal structure of SARS-CoV macrodomain II in complex with human Paip1
Descriptor: Non-structural protein 3, Polyadenylate-binding protein-interacting protein 1
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2020-05-02
Release date:2021-03-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The SARS-unique domain (SUD) of SARS-CoV and SARS-CoV-2 interacts with human Paip1 to enhance viral RNA translation.
Embo J., 40, 2021
5LC0
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BU of 5lc0 by Molmil
Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor
Descriptor: N-((S)-3-(4-(aminomethyl)phenyl)-1-(((R)-4-guanidino-1-(5-hydroxy-1,3,2-dioxaborinan-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide, NS2B-NS3 protease,NS2B-NS3 protease
Authors:Lei, J, Hansen, G, Zhang, L.L, Hilgenfeld, R.
Deposit date:2016-06-18
Release date:2016-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor.
Science, 353, 2016
3BJV
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BU of 3bjv by Molmil
The Crystal Structure of a putative PTS IIA(PtxA) from Streptococcus mutans
Descriptor: RmpA
Authors:Lei, J, Liang, Y.H, Su, X.D.
Deposit date:2007-12-04
Release date:2008-01-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of phosphotransferase system enzymes PtxB (IIB(Asc)) and PtxA (IIA(Asc)) from Streptococcus mutans
J.Mol.Biol., 386, 2009
4WUR
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BU of 4wur by Molmil
The crystal structure of the MERS-CoV papain-like protease (C111S) with human ubiquitin
Descriptor: ISOPROPYL ALCOHOL, Papain-like protease, Polyubiquitin-B, ...
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2014-11-03
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Virol Sin, 31, 2016
3L8R
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BU of 3l8r by Molmil
The crystal structure of PtcA from S. mutans
Descriptor: Putative PTS system, cellobiose-specific IIA component
Authors:Lei, J, Liu, X, Li, L.
Deposit date:2010-01-03
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of PtcA from Streptococcus mutans
To be Published
5HIH
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BU of 5hih by Molmil
Crystal structure of the macro domain in Middle-East Respiratory Syndrome Coronavirus
Descriptor: ORF1a
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2016-01-11
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin.
Virol Sin, 31, 2016
5HOL
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BU of 5hol by Molmil
The crystal structure of the MERS-CoV macro domain with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, ORF1a
Authors:Lei, J, Hilgenfeld, R.
Deposit date:2016-01-19
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein.
Antiviral Res., 149, 2018
4P16
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BU of 4p16 by Molmil
Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus
Descriptor: ORF1a, ZINC ION
Authors:Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R.
Deposit date:2014-02-25
Release date:2014-05-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
3RK6
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BU of 3rk6 by Molmil
Crystal structure of the middle domain of human Paip1
Descriptor: Polyadenylate-binding protein-interacting protein 1
Authors:Lei, J, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-04-17
Release date:2011-05-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
7BX0
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BU of 7bx0 by Molmil
Crystal structure of RTT109 from Candida albicans
Descriptor: Histone acetyltransferase RTT109
Authors:Lei, J.H, Chen, Y.P, Lu, D.R, Su, D.
Deposit date:2020-04-16
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of RTT109 from Candida albicans
To Be Published
5NGN
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BU of 5ngn by Molmil
Lybatide 2, a cystine-rich peptide from Lycium barbarum
Descriptor: ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R.
Deposit date:2017-03-18
Release date:2017-07-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold.
Sci Rep, 7, 2017
3CZC
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BU of 3czc by Molmil
The Crystal Structure of a putative PTS IIB(PtxB) from Streptococcus mutans
Descriptor: RmpB
Authors:Lei, J, Su, X.D.
Deposit date:2008-04-29
Release date:2009-03-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structures of phosphotransferase system enzymes PtxB (IIB(Asc)) and PtxA (IIA(Asc)) from Streptococcus mutans
J.Mol.Biol., 386, 2009
7BXW
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BU of 7bxw by Molmil
Crystal structure ofF RTT109 FROM Candida albicans
Descriptor: ACETAMIDE, Histone acetyltransferase RTT109
Authors:Lei, J.H, Chen, Y.P, Lu, D.R, Su, D.
Deposit date:2020-04-21
Release date:2021-04-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.77629292 Å)
Cite:Crystal structure ofF RTT109 FROM Candida albicans
To be published
6EP1
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BU of 6ep1 by Molmil
Transthyretin in complex with 5-(4-nitrophenylazo)-3-iodosalicylic acid
Descriptor: 5-(4-nitrophenylazo)-3-iodosalicylic acid, Transthyretin
Authors:Leite, J.P, Gales, L.
Deposit date:2017-10-10
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease
Eur.J.Med.Chem., 2021
7QH3
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BU of 7qh3 by Molmil
Crystal structure of the anti-sigma factor RsfG from Streptomyces tsukubaensis NRRL18488
Descriptor: RsfG
Authors:Leite, J.P, Lourenco, F, Gales, L.
Deposit date:2021-12-10
Release date:2022-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of Streptomyces tsukubaensis sigma factor SigG1 and anti-sigma RsfG.
J.Struct.Biol., 215, 2023
7ACU
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BU of 7acu by Molmil
Crystal structure of human transthyretin in complex with Benzbromarone
Descriptor: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
Authors:Leite, J.P, Gales, L.
Deposit date:2020-09-11
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:Repurposing Benzbromarone for Familial Amyloid Polyneuropathy: A New Transthyretin Tetramer Stabilizer.
Int J Mol Sci, 21, 2020
5ONP
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BU of 5onp by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Cd-substituted Thermolysin
Descriptor: Amyloid-beta A4 protein, CADMIUM ION, CALCIUM ION, ...
Authors:Leite, J.P, Gales, L.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
5ONQ
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BU of 5onq by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 29-40 in Complex with Cd-substituted Thermolysin
Descriptor: Amyloid-beta A4 protein, CADMIUM ION, CALCIUM ION, ...
Authors:Leite, J.P, Gales, L.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
5ONR
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BU of 5onr by Molmil
Alzheimer's Amyloid-Beta Peptide Fragment 1-40 in Complex with Thermolysin
Descriptor: Amyloid-beta A4 protein, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Leite, J.P, Gales, L.
Deposit date:2017-08-04
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Alzheimer's A beta1-40peptide degradation by thermolysin: evidence of inhibition by a C-terminal A beta product.
FEBS Lett., 593, 2019
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K.
Deposit date:2021-09-09
Release date:2022-01-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PP9
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BU of 7pp9 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
Authors:Leitans, J, Tars, K, Dvinskis, E.
Deposit date:2021-09-13
Release date:2022-09-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
4UB9
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BU of 4ub9 by Molmil
Structural and catalytic characterization of molinate hydrolase
Descriptor: Molinate hydrolase, ZINC ION
Authors:Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L.
Deposit date:2014-08-12
Release date:2015-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023

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數據於2024-10-30公開中

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