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4A0D
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STRUCTURE OF UNLIGANDED HUMAN PARG CATALYTIC DOMAIN
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, ...
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
4B1G
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STRUCTURE OF UNLIGANDED HUMAN PARG CATALYTIC DOMAIN
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 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
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH ADP-RIBOSE
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, BETA-MERCAPTOETHANOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ...
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:2018-04-04
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
4B1I
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH OA-ADP-HPD
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 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:2018-04-04
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
4B1J
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STRUCTURE OF HUMAN PARG CATALYTIC DOMAIN IN COMPLEX WITH ADP-HPD
Descriptor:POLY(ADP-RIBOSE) GLYCOHYDROLASE, GLYCEROL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, ...
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:2018-04-04
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
1P8D
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X-RAY CRYSTAL STRUCTURE OF LXR LIGAND BINDING DOMAIN WITH 24(S),25-EPOXYCHOLESTEROL
Descriptor:Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3, 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL
Authors:Williams, S., Bledsoe, R.K., Collins, J.L., Boggs, S., Lambert, M.H., Miller, A.B., Moore, J., McKee, D.D., Moore, L., Nichols, J., Parks, D., Watson, M., Wisely, B., Willson, T.M.
Deposit date:2003-05-06
Release date:2003-07-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
1R9I
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NMR SOLUTION STRUCTURE OF PIIIA TOXIN, NMR, 20 STRUCTURES
Descriptor:Mu-conotoxin PIIIA
Authors:Nielsen, K.J., Watson, M., Adams, D.J., Hammarstrom, A.K., Gage, P.W., Hill, J.M., Craik, D.J., Thomas, L., Adams, D., Alewood, P.F., Lewis, R.J.
Deposit date:2003-10-30
Release date:2003-11-18
Last modified:2019-12-25
Method:SOLUTION NMR
Cite:Solution structure of mu-conotoxin PIIIA, a preferential inhibitor of persistent tetrodotoxin-sensitive sodium channels
J.Biol.Chem., 277, 2002
2IMS
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THE X-RAY STRUCTURE OF A BAK HOMODIMER REVEALS AN INHIBITORY ZINC BINDING SITE
Descriptor:Apoptosis regulator BAK, ZINC ION
Authors:Moldoveanu, T., Liu, Q., Tocilj, A., Watson, M., Shore, G.C., Gehring, K.B.
Deposit date:2006-10-04
Release date:2006-12-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The X-Ray Structure of a BAK Homodimer Reveals an Inhibitory Zinc Binding Site
Mol.Cell, 24, 2006
2IMT
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THE X-RAY STRUCTURE OF A BAK HOMODIMER REVEALS AN INHIBITORY ZINC BINDING SITE
Descriptor:Apoptosis regulator BAK, ZINC ION
Authors:Moldoveanu, T., Liu, Q., Tocilj, A., Watson, M., Shore, G.C., Gehring, K.B.
Deposit date:2006-10-04
Release date:2007-01-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The X-ray structure of a BAK homodimer reveals an inhibitory zinc binding site.
Mol.Cell, 24, 2006
2LY4
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HMGB1-FACILITATED P53 DNA BINDING OCCURS VIA HMG-BOX/P53 TRANSACTIVATION DOMAIN INTERACTION AND IS REGULATED BY THE ACIDIC TAIL
Descriptor:High mobility group protein B1, Cellular tumor antigen p53
Authors:Rowell, J.P., Simpson, K.L., Stott, K., Watson, M., Thomas, J.O.
Deposit date:2012-09-12
Release date:2012-10-31
Last modified:2012-12-26
Method:SOLUTION NMR
Cite:HMGB1-Facilitated p53 DNA Binding Occurs via HMG-Box/p53 Transactivation Domain Interaction, Regulated by the Acidic Tail.
Structure, 20, 2012
4AJH
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RAT LDHA IN COMPLEX WITH N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO- PROPANAMIDE AND 2-(4-BROMOPHENOXY)PROPANEDIOIC ACID
Descriptor:L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE, ...
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
4AJN
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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:L-LACTATE DEHYDROGENASE A CHAIN, (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID, GLYCEROL
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
4AJO
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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:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, ...
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
4AJP
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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:L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, 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:2014-09-17
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
5J3P
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN TYROSYL DNA PHOSPHODIESTERASE 2
Descriptor:Tyrosyl-DNA phosphodiesterase 2, MAGNESIUM ION, GLYCEROL
Authors:Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
Deposit date:2016-03-31
Release date:2016-05-04
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J3S
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN TYROSYL DNA PHOSPHODIESTERASE 2 IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:Tyrosyl-DNA phosphodiesterase 2, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
Authors:Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
Deposit date:2016-03-31
Release date:2016-05-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J3Z
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CRYSTAL STRUCTURE OF M2HTDP2-CAT IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:Tyrosyl-DNA phosphodiesterase 2, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, MAGNESIUM ION, ...
Authors:Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
Deposit date:2016-03-31
Release date:2016-05-04
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J42
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CRYSTAL STRUCTURE OF M2HTDP2-CAT IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:Tyrosyl-DNA phosphodiesterase 2, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, L(+)-TARTARIC ACID, ...
Authors:Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
Deposit date:2016-03-31
Release date:2016-05-04
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
6CVO
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HUMAN APRATAXIN (APTX) BOUND TO NICKED RNA-DNA, AMP AND ZN PRODUCT COMPLEX
Descriptor:Aprataxin, DNA/RNA (5'-R(P*G)-D(P*TP*TP*CP*TP*AP*TP*AP*TP*AP*TP*AP*GP*AP*AP*CP*GP*CP*TP*GP*TP*T)-3'), DNA (5'-D(*AP*AP*CP*AP*GP*C)-3'), ...
Authors:Schellenberg, M.J., Tumbale, P.P., Williams, R.S.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVP
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HUMAN APRATAXIN (APTX) R199H BOUND TO RNA-DNA, AMP AND ZN PRODUCT COMPLEX
Descriptor:Aprataxin, DNA/RNA (5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J., Williams, R.S., Tumbale, P.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVQ
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HUMAN APRATAXIN (APTX) H201Q BOUND TO RNA-DNA, AMP AND ZN PRODUCT COMPLEX
Descriptor:Aprataxin, DNA/RNA (5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J., Tumbale, P.S., Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVR
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HUMAN APRATAXIN (APTX) S242N BOUND TO RNA-DNA, AMP AND ZN PRODUCT COMPLEX
Descriptor:Aprataxin, DNA/RNA (5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J., Tumbale, P.S., Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVS
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HUMAN APRATAXIN (APTX) L248M BOUND TO DNA, AMP AND ZN PRODUCT
Descriptor:Aprataxin, DNA (5'-D(P*GP*TP*TP*CP*TP*AP*GP*AP*AP*C)-3'), ADENOSINE MONOPHOSPHATE, ...
Authors:Schellenberg, M.J., Tumbale, P.S., Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018
6CVT
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HUMAN APRATAXIN (APTX) V263G BOUND TO RNA-DNA, AMP AND ZN PRODUCT COMPLEX
Descriptor:Aprataxin, DNA/RNA (5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Schellenberg, M.J., Tumbale, P.S., Williams, R.S.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.941 Å)
Cite:Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease.
EMBO J., 37, 2018