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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
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:2017-10-25
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
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
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
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
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
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:2023-09-27
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
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:2024-01-10
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
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
5FL6
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BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
1F3R
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BU of 1f3r by Molmil
COMPLEX BETWEEN FV ANTIBODY FRAGMENT AND AN ANALOGUE OF THE MAIN IMMUNOGENIC REGION OF THE ACETYLCHOLINE RECEPTOR
Descriptor: ACETYLCHOLINE RECEPTOR ALPHA, FV ANTIBODY FRAGMENT
Authors:Kleinjung, J, Petit, M.-C, Orlewski, P, Mamalaki, A, Tzartos, S.-J, Tsikaris, V, Sakarellos-Daitsiotis, M, Sakarellos, C, Marraud, M, Cung, M.-T.
Deposit date:2000-06-06
Release date:2000-06-15
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The third-dimensional structure of the complex between an Fv antibody fragment and an analogue of the main immunogenic region of the acetylcholine receptor: a combined two-dimensional NMR, homology, and molecular modeling approach.
Biopolymers, 53, 2000
8OO8
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BU of 8oo8 by Molmil
Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
Descriptor: 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2023-04-04
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
To Be Published
3D3F
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BU of 3d3f by Molmil
Crystal Structure of Yvgn and cofactor NADPH from Bacillus subtilis
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YvgN protein
Authors:Zhou, Y.F, Lei, J, Su, X.D.
Deposit date:2008-05-10
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
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:2018-04-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold.
Sci Rep, 7, 2017
3F7J
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BU of 3f7j by Molmil
B.subtilis YvgN
Descriptor: NITRATE ION, POTASSIUM ION, YvgN protein
Authors:Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D.
Deposit date:2008-11-09
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
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:2024-01-31
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:2024-01-31
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
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015

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