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5AD3
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BU of 5ad3 by Molmil
Bivalent binding to BET bromodomains
分子名称: 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5AD2
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BU of 5ad2 by Molmil
Bivalent binding to BET bromodomains
分子名称: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
著者Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
登録日2015-08-19
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
4A0D
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BU of 4a0d by Molmil
Structure of unliganded human PARG catalytic domain
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ...
著者Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
登録日2011-09-08
公開日2012-10-17
最終更新日2013-01-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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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BU of 4b1j by Molmil
Structure of human PARG catalytic domain in complex with ADP-HPD
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ...
著者Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
登録日2012-07-10
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol, GLYCEROL, ...
著者Brassington, C, Ellston, J, Hassall, G, Holdgate, G, Johnson, T, McAlister, M, Smith, G, Tucker, J.A, Watson, M.
登録日2012-07-10
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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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BU of 4b1g by Molmil
Structure of unliganded human PARG catalytic domain
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION
著者Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M.
登録日2012-07-10
公開日2012-12-19
最終更新日2013-01-16
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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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BU of 4b1h by Molmil
Structure of human PARG catalytic domain in complex with ADP-ribose
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M.
登録日2012-07-10
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives.
Plos One, 7, 2012
1H70
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BU of 1h70 by Molmil
DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE
分子名称: CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE
著者Murray-Rust, J, Leiper, J, McAlister, M, Phelan, J, Tilley, S, Santamaria, J, Vallance, P, McDonald, N.
登録日2001-06-30
公開日2001-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase.
Nat. Struct. Biol., 8, 2001
3ZFY
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BU of 3zfy by Molmil
Crystal structure of EphB3
分子名称: EPHRIN TYPE-B RECEPTOR 3
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2014-05-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZFM
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BU of 3zfm by Molmil
Crystal structure of EphB2
分子名称: EPHRIN TYPE-B RECEPTOR 2
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZEW
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BU of 3zew by Molmil
Crystal structure of EphB4 in complex with staurosporine
分子名称: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-07
公開日2013-12-25
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
1GNU
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BU of 1gnu by Molmil
GABA(A) receptor associated protein GABARAP
分子名称: GABARAP, NICKEL (II) ION
著者Knight, D, Harris, R, Moss, S, Driscoll, P.C, Keep, N.H.
登録日2001-10-09
公開日2001-12-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein
J.Biol.Chem., 277, 2002
3ZFX
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BU of 3zfx by Molmil
Crystal structure of EphB1
分子名称: EPHRIN TYPE-B RECEPTOR 1, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2014-05-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
2VWU
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BU of 2vwu by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M.
登録日2008-06-27
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
4IWV
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BU of 4iwv by Molmil
Crystals structure of Human Glucokinase in complex with small molecule activator
分子名称: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
登録日2013-01-24
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published

218853

件を2024-04-24に公開中

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