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PDB: 468 件

4QX4
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Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A
分子名称: (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-07-18
公開日2015-04-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
4QR6
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Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-06-30
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4RPQ
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Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1)
分子名称: ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-10-31
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Aldose Reductase: IDD ligands under investigation
To be Published
6HKR
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BU of 6hkr by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271.
分子名称: 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ...
著者Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E.
登録日2018-09-07
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
3KLQ
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BU of 3klq by Molmil
Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S
分子名称: GLYCEROL, Putative pilus anchoring protein
著者Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N.
登録日2009-11-08
公開日2010-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
4GCR
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BU of 4gcr by Molmil
STRUCTURE OF THE BOVINE EYE LENS PROTEIN GAMMA-B (GAMMA-II)-CRYSTALLIN AT 1.47 ANGSTROMS
分子名称: GAMMA-B CRYSTALLIN
著者Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P.
登録日1992-04-02
公開日1993-10-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A.
Acta Crystallogr.,Sect.D, 49, 1993
8TR9
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BU of 8tr9 by Molmil
Cryo-EM structure of transglutaminase 2 bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2
著者Aplin, C, Cerione, R.A.
登録日2023-08-09
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Conformational activation and inhibition of transglutaminase 2 determined by static and time resolved small-angle X-ray scattering and cryoelectron microscopy
To Be Published
8ULG
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BU of 8ulg by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Aplin, C, Cerione, R.A.
登録日2023-10-16
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UGB
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Cryo-EM structure of bovine phosphodiesterase 6 bound to udenafil
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
著者Aplin, C, Cerione, R.A.
登録日2023-10-05
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UFI
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BU of 8ufi by Molmil
Cryo-EM structure of bovine phosphodiesterase 6
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
著者Aplin, C, Cerione, R.A.
登録日2023-10-04
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
8UGS
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BU of 8ugs by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to cGMP
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
著者Aplin, C, Cerione, R.A.
登録日2023-10-06
公開日2024-01-17
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
4YS1
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BU of 4ys1 by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A.
分子名称: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-16
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
5NL2
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BU of 5nl2 by Molmil
cryo-EM structure of the mTMEM16A ion channel at 6.6 A resolution.
分子名称: Anoctamin-1
著者Paulino, C, Neldner, Y, Lam, K.M, Kalienkova, V, Brunner, J.D, Schenck, S, Dutzler, R.
登録日2017-04-03
公開日2017-06-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structural basis for anion conduction in the calcium-activated chloride channel TMEM16A.
Elife, 6, 2017
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YXO
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BU of 4yxo by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3).
分子名称: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YXU
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BU of 4yxu by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-23
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YYT
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Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-24
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
4YX4
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BU of 4yx4 by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1).
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
5OYB
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BU of 5oyb by Molmil
Structure of calcium-bound mTMEM16A chloride channel at 3.75 A resolution
分子名称: Anoctamin-1, CALCIUM ION
著者Paulino, C, Kalienkova, V, Lam, K.M, Neldner, Y, Dutzler, R.
登録日2017-09-08
公開日2017-12-20
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Activation mechanism of the calcium-activated chloride channel TMEM16A revealed by cryo-EM.
Nature, 552, 2017
4YU1
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BU of 4yu1 by Molmil
Human Aldose Reductase complexed with Schl12134 (3-[5-(3-nitrophenyl)-2-thienyl]propanoic acid) at 1.02 A
分子名称: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-18
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To Be Published
4ES8
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BU of 4es8 by Molmil
Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P212121
分子名称: ACETATE ION, Epf, GLYCEROL, ...
著者Linke, C, Siemens, N, Kreikemeyer, B, Baker, E.N.
登録日2012-04-23
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Extracellular Protein Factor Epf from Streptococcus pyogenes Is a Cell Surface Adhesin That Binds to Cells through an N-terminal Domain Containing a Carbohydrate-binding Module.
J.Biol.Chem., 287, 2012
4NKC
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BU of 4nkc by Molmil
Human Aldose Reductase complexed with Schl7764 at 1.12 A
分子名称: (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2013-11-12
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Keys to open the specificity pocket: Biaryl Inhibitors of the human aldose reductase
To be Published
3GI1
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BU of 3gi1 by Molmil
Crystal Structure of the laminin-binding protein Lbp of Streptococcus pyogenes
分子名称: Laminin-binding protein of group A streptococci, ZINC ION
著者Linke, C, Caradoc-Davies, T.T, Young, P.G, Proft, T, Baker, E.N.
登録日2009-03-04
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The laminin-binding protein Lbp from Streptococcus pyogenes is a zinc receptor
J.Bacteriol., 191, 2009
4PRR
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BU of 4prr by Molmil
Human Aldose Reductase complexed with Schl7815 ((3-[3-(5-NITROFURAN-2-YL)PHENYL]PROPANOIC ACID)at 1.01 A
分子名称: 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-03-06
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published
4PRT
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BU of 4prt by Molmil
Human Aldose Reductase complexed with Schl12221 ({2-[5-(3-NITROPHENYL)FURAN-2-YL]PHENYL}ACETIC ACID) at 0.96 A
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-03-06
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published

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件を2024-11-06に公開中

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