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PDB: 463 results

4YX4
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BU of 4yx4 by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1).
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.01 Å)
Cite: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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BU of 4yyt by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5).
Descriptor: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-24
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite: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).
Descriptor: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
4YXI
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BU of 4yxi by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2).
Descriptor: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.96 Å)
Cite: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).
Descriptor: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
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
Descriptor: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-18
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To Be Published
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
Descriptor: GAMMA-B CRYSTALLIN
Authors:Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P.
Deposit date:1992-04-02
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A.
Acta Crystallogr.,Sect.D, 49, 1993
8ULG
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BU of 8ulg by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-16
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-04
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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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BU of 8ugb by Molmil
Cryo-EM structure of bovine phosphodiesterase 6 bound to udenafil
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-05
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, MAGNESIUM ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma, ...
Authors:Aplin, C, Cerione, R.A.
Deposit date:2023-10-06
Release date:2024-01-17
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
J.Biol.Chem., 300, 2023
6HKR
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BU of 6hkr by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271.
Descriptor: 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, ...
Authors:Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E.
Deposit date:2018-09-07
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
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
Descriptor: 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-06
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite: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
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[5-(3-nitrophenyl)furan-2-yl]phenyl}acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-06
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Keys to open the specificity pocket: Biphenylic 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
Descriptor: Laminin-binding protein of group A streptococci, ZINC ION
Authors:Linke, C, Caradoc-Davies, T.T, Young, P.G, Proft, T, Baker, E.N.
Deposit date:2009-03-04
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The laminin-binding protein Lbp from Streptococcus pyogenes is a zinc receptor
J.Bacteriol., 191, 2009
4QBX
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BU of 4qbx by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) at 0.98 A
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-05-09
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4Q7B
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BU of 4q7b by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-04-24
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4PR4
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BU of 4pr4 by Molmil
Human Aldose Reductase complexed with Schl7802 at 1.06 A
Descriptor: 3-(3'-nitrobiphenyl-3-yl)propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-05
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published
4PUW
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BU of 4puw by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2-[5-fluoro-2-(prop-2-ynylcarbamoyl)phenoxy]acetic acid) at 1.12 A
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-14
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4PUU
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BU of 4puu by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2-(2-carbamoyl-5-fluoro-phenoxy)acetic acid) at 1.14 A
Descriptor: (2-carbamoyl-5-fluorophenoxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-14
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Human Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
4NKC
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BU of 4nkc by Molmil
Human Aldose Reductase complexed with Schl7764 at 1.12 A
Descriptor: (2Z)-3-(3'-nitrobiphenyl-3-yl)prop-2-enoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2013-11-12
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Keys to open the specificity pocket: Biaryl Inhibitors of the human aldose reductase
To be Published
4QX4
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BU of 4qx4 by Molmil
Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A
Descriptor: (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
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-07-18
Release date:2015-04-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.259 Å)
Cite:Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
4QR6
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BU of 4qr6 by Molmil
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
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-06-30
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
1YTQ
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BU of 1ytq by Molmil
Structure of Native Human Beta B2 Crystallin
Descriptor: Beta crystallin B2
Authors:Slingsby, C, Smith, M.A, Bateman, O.A.
Deposit date:2005-02-10
Release date:2006-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mutation of interfaces in domain-swapped human betaB2-crystallin
Protein Sci., 16, 2007
4ES9
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BU of 4es9 by Molmil
Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P21
Descriptor: Epf
Authors:Linke, C, Siemens, N, Kreikemeyer, B, Baker, E.N.
Deposit date:2012-04-23
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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

224201

數據於2024-08-28公開中

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