Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2JIH
DownloadVisualize
BU of 2jih by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (complex-form)
Descriptor: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAMTS-1, CADMIUM ION, ...
Authors:Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
Deposit date:2007-06-28
Release date:2008-01-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human ADAMTS-1 reveal a conserved catalytic domain and a disintegrin-like domain with a fold homologous to cysteine-rich domains.
J. Mol. Biol., 373, 2007
2V4B
DownloadVisualize
BU of 2v4b by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form)
Descriptor: ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ...
Authors:Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
Deposit date:2007-06-28
Release date:2008-01-15
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains.
J.Mol.Biol., 373, 2007
4AJK
DownloadVisualize
BU of 4ajk by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJL
DownloadVisualize
BU of 4ajl by Molmil
rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJN
DownloadVisualize
BU of 4ajn by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)-3-oxo-propyl)carbamoylamino)ethyl)phenyl)methyl) propanedioic acid
Descriptor: (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
Authors:Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ2
DownloadVisualize
BU of 4aj2 by Molmil
rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole
Descriptor: 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ1
DownloadVisualize
BU of 4aj1 by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJJ
DownloadVisualize
BU of 4ajj by Molmil
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
Descriptor: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJI
DownloadVisualize
BU of 4aji by Molmil
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid
Descriptor: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJH
DownloadVisualize
BU of 4ajh by Molmil
rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid
Descriptor: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AL4
DownloadVisualize
BU of 4al4 by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid
Descriptor: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
Authors:Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJE
DownloadVisualize
BU of 4aje by Molmil
rat LDHA in complex with 2-(4-bromophenoxy)propanedioic acid
Descriptor: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJ4
DownloadVisualize
BU of 4aj4 by Molmil
rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid
Descriptor: 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G.
Deposit date:2012-02-15
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJO
DownloadVisualize
BU of 4ajo by Molmil
rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Caputo, A, Pearson, S.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4A0D
DownloadVisualize
BU of 4a0d by Molmil
Structure of unliganded human PARG catalytic domain
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ...
Authors:Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
Deposit date:2011-09-08
Release date:2012-10-17
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1J
DownloadVisualize
BU of 4b1j by Molmil
Structure of human PARG catalytic domain in complex with ADP-HPD
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ...
Authors:Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1I
DownloadVisualize
BU of 4b1i by Molmil
Structure of human PARG catalytic domain in complex with OA-ADP-HPD
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol, GLYCEROL, ...
Authors:Brassington, C, Ellston, J, Hassall, G, Holdgate, G, Johnson, T, McAlister, M, Smith, G, Tucker, J.A, Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1G
DownloadVisualize
BU of 4b1g by Molmil
Structure of unliganded human PARG catalytic domain
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION
Authors:Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4B1H
DownloadVisualize
BU of 4b1h by Molmil
Structure of human PARG catalytic domain in complex with ADP-ribose
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M.
Deposit date:2012-07-10
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
4AJP
DownloadVisualize
BU of 4ajp by Molmil
Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ...
Authors:Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
6HMM
DownloadVisualize
BU of 6hmm by Molmil
POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6HMN
DownloadVisualize
BU of 6hmn by Molmil
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909
Descriptor: 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G.
Deposit date:2018-09-12
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon