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3L8R
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BU of 3l8r by Molmil
The crystal structure of PtcA from S. mutans
分子名称: Putative PTS system, cellobiose-specific IIA component
著者Lei, J, Liu, X, Li, L.
登録日2010-01-03
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of PtcA from Streptococcus mutans
To be Published
5LC0
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BU of 5lc0 by Molmil
Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor
分子名称: 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
著者Lei, J, Hansen, G, Zhang, L.L, Hilgenfeld, R.
登録日2016-06-18
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor.
Science, 353, 2016
4WUR
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BU of 4wur by Molmil
The crystal structure of the MERS-CoV papain-like protease (C111S) with human ubiquitin
分子名称: ISOPROPYL ALCOHOL, Papain-like protease, Polyubiquitin-B, ...
著者Lei, J, Hilgenfeld, R.
登録日2014-11-03
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献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
3BJV
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BU of 3bjv by Molmil
The Crystal Structure of a putative PTS IIA(PtxA) from Streptococcus mutans
分子名称: RmpA
著者Lei, J, Liang, Y.H, Su, X.D.
登録日2007-12-04
公開日2008-01-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Non-structural protein 3, Polyadenylate-binding protein-interacting protein 1
著者Lei, J, Hilgenfeld, R.
登録日2020-05-02
公開日2021-03-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献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
5HIH
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BU of 5hih by Molmil
Crystal structure of the macro domain in Middle-East Respiratory Syndrome Coronavirus
分子名称: ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-11
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献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
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, ORF1a
著者Lei, J, Hilgenfeld, R.
登録日2016-01-19
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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
分子名称: ORF1a, ZINC ION
著者Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R.
登録日2014-02-25
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: Polyadenylate-binding protein-interacting protein 1
著者Lei, J, Mesters, J.R, Hilgenfeld, R.
登録日2011-04-17
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
3CZC
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BU of 3czc by Molmil
The Crystal Structure of a putative PTS IIB(PtxB) from Streptococcus mutans
分子名称: RmpB
著者Lei, J, Su, X.D.
登録日2008-04-29
公開日2009-03-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structures of phosphotransferase system enzymes PtxB (IIB(Asc)) and PtxA (IIA(Asc)) from Streptococcus mutans
J.Mol.Biol., 386, 2009
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
分子名称: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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
分子名称: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
分子名称: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献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
分子名称: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献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
分子名称: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
著者Leitans, J, Tars, K.
登録日2023-07-31
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-10-21
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
8OO8
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BU of 8oo8 by Molmil
Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
分子名称: 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Leitans, J, Tars, K.
登録日2023-04-04
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor
To Be Published
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
分子名称: ACETYLCHOLINE RECEPTOR ALPHA, FV ANTIBODY FRAGMENT
著者Kleinjung, J, Petit, M.-C, Orlewski, P, Mamalaki, A, Tzartos, S.-J, Tsikaris, V, Sakarellos-Daitsiotis, M, Sakarellos, C, Marraud, M, Cung, M.-T.
登録日2000-06-06
公開日2000-06-15
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献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
3D3F
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BU of 3d3f by Molmil
Crystal Structure of Yvgn and cofactor NADPH from Bacillus subtilis
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YvgN protein
著者Zhou, Y.F, Lei, J, Su, X.D.
登録日2008-05-10
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis
Protein Sci., 18, 2009
3F7J
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BU of 3f7j by Molmil
B.subtilis YvgN
分子名称: NITRATE ION, POTASSIUM ION, YvgN protein
著者Zhou, Y.F, Lei, J, Liang, Y.H, Su, X.-D.
登録日2008-11-09
公開日2008-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: ACETONITRILE, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Lei, J, Tan, W.L, Sakai, N, Hilgenfeld, R.
登録日2017-03-18
公開日2017-07-26
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Lybatides from Lycium barbarum Contain An Unusual Cystine-stapled Helical Peptide Scaffold.
Sci Rep, 7, 2017
7POM
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BU of 7pom by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: Carbonic anhydrase 9, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
著者Leitans, J, Tars, K.
登録日2021-09-09
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: Carbonic anhydrase 12, ZINC ION, methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate
著者Leitans, J, Tars, K, Dvinskis, E.
登録日2021-09-13
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AMG
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Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015

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