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5A1F
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BU of 5a1f by Molmil
Crystal structure of the catalytic domain of PLU1 in complex with N-oxalylglycine.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Strain-Damerell, C, Gileadi, C, Szykowska, A, Kupinska, K, Kopec, J, Krojer, T, Steuber, H, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-04-29
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3T
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BU of 5a3t by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-02
Release date:2015-06-17
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5A3W
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BU of 5a3w by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with Pyridine-2, 6-dicarboxylic Acid (PDCA)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2015-06-03
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
2FCF
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BU of 2fcf by Molmil
The crystal structure of the 7th PDZ domain of MPDZ (MUPP-1)
Descriptor: Multiple PDZ domain protein
Authors:Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-12-12
Release date:2006-01-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2FNE
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BU of 2fne by Molmil
The crystal structure of the 13th PDZ domain of MPDZ
Descriptor: Multiple PDZ domain protein
Authors:Papagrigoriou, E, Berridge, G, Johansson, C, Colebrook, S, Salah, E, Burgess, N, Smee, C, Savitsky, P, Bray, J, Schoch, G, Phillips, C, Gileadi, C, Soundarajan, M, Yang, X, Elkins, J.M, Gorrec, F, Turnbull, A, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-01-11
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2XML
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BU of 2xml by Molmil
Crystal structure of human JMJD2C catalytic domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4C, ...
Authors:Yue, W.W, Gileadi, C, Krojer, T, Pike, A.C.W, von Delft, F, Ng, S, Carpenter, L, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-07-28
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
5A1L
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BU of 5a1l by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with S21056a
Descriptor: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol, FE (II) ION, ...
Authors:Srikannathasan, V, Gileadi, C, Johansson, C, Krojer, T, Tumber, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
Deposit date:2015-05-01
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty with S21056A
To be Published
5A1H
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BU of 5a1h by Molmil
Crystal structure of human Spindlin3
Descriptor: SPINDLIN-3
Authors:Srikannathasan, V, Gileadi, C, Johansson, C, Shrestha, L, Tallon, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2015-04-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Spindlin3
To be Published
4C8D
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BU of 4c8d by Molmil
Crystal structure of JmjC domain of human histone 3 Lysine-specific demethylase 3B (KDM3B)
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Vollmar, M, Johansson, C, Gileadi, C, Goubin, S, Szykowska, A, Krojer, T, Crawley, L, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone 3 Lysine-Specific Demethylase 3B (Kdm3B)
To be Published
3ZPO
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BU of 3zpo by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1
Descriptor: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, FE (II) ION, ...
Authors:Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-02-28
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Uty(Kdm6C) is a Male-Specific Nepislon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
3ZLI
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BU of 3zli by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Vollmar, M, Gileadi, C, Shrestha, L, Goubin, S, Johansson, C, Krojer, T, Raynor, J.W, Bradley, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2013-01-31
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Uty(Kdm6C) is a Male-Specific Nepsilon-Methyl Lysyl Demethylase.
J.Biol.Chem., 289, 2014
2O2T
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BU of 2o2t by Molmil
The crystal structure of the 1st PDZ domain of MPDZ
Descriptor: Multiple PDZ domain protein
Authors:Papagrigoriou, E, Gileadi, C, Phillips, C, Johansson, C, Salah, E, Savitsky, P, Gorrec, F, Umeano, C, Berridge, G, Pike, A.C.W, Elkins, J, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-11-30
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of the 1st PDZ domain of MPDZ
To be Published
2IWO
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BU of 2iwo by Molmil
12th PDZ domain of Multiple PDZ Domain Protein MPDZ
Descriptor: MULTIPLE PDZ DOMAIN PROTEIN
Authors:Elkins, J.M, Yang, X, Gileadi, C, Schoch, G, Johansson, C, Savitsky, P, Berridge, G, Smee, C.E.A, Turnbull, A, Pike, A, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
Deposit date:2006-07-03
Release date:2006-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
5A7S
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BU of 5a7s by Molmil
Crystal structure of human JMJD2A in complex with compound 44
Descriptor: 1,2-ETHANEDIOL, 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7P
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BU of 5a7p by Molmil
Crystal structure of human JMJD2A in complex with compound 36
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7W
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BU of 5a7w by Molmil
Crystal structure of human JMJD2A in complex with compound 35
Descriptor: 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A80
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BU of 5a80 by Molmil
Crystal structure of human JMJD2A in complex with compound 40
Descriptor: 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-11
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2QG1
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BU of 2qg1 by Molmil
Crystal structure of the 11th PDZ domain of MPDZ (MUPP1)
Descriptor: 1,2-ETHANEDIOL, Multiple PDZ domain protein
Authors:Papagrigoriou, E, Salah, E, Phillips, C, Savitsky, P, Boisguerin, P, Oschkinat, H, Gileadi, C, Yang, X, Elkins, J.M, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the 11th PDZ domain of MPDZ (MUPP1).
To be Published
2WWW
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BU of 2www by Molmil
Crystal Structure of Methylmalonic Acidemia Type A Protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ...
Authors:Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U.
Deposit date:2009-10-30
Release date:2009-11-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
2IWN
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BU of 2iwn by Molmil
3rd PDZ domain of Multiple PDZ Domain Protein MPDZ
Descriptor: MULTIPLE PDZ DOMAIN PROTEIN
Authors:Elkins, J.M, Gileadi, C, Savitsky, P, Berridge, G, Smee, C.E.A, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
Deposit date:2006-07-03
Release date:2006-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extension.
Protein Sci., 16, 2007
2IWP
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BU of 2iwp by Molmil
12th PDZ domain of Multiple PDZ Domain Protein MPDZ
Descriptor: MULTIPLE PDZ DOMAIN PROTEIN
Authors:Elkins, J.M, Yang, X, Gileadi, C, Schoch, G, Johansson, C, Savitsky, P, Berridge, G, Smee, C.E.A, Turnbull, A, Pike, A, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
Deposit date:2006-07-03
Release date:2006-07-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extension.
Protein Sci., 16, 2007
5A7Q
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BU of 5a7q by Molmil
Crystal structure of human JMJD2A in complex with compound 30
Descriptor: 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ...
Authors:Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7N
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BU of 5a7n by Molmil
Crystal structure of human JMJD2A in complex with compound 43
Descriptor: 1,2-ETHANEDIOL, 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
Authors:Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Williams, E, Riesebos, E, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2FN4
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BU of 2fn4 by Molmil
The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein R-Ras
Authors:Turnbull, A.P, Elkins, J.M, Gileadi, C, Burgess, N, Salah, E, Papagrigoriou, E, Debreczeni, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-01-10
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human Ras-related protein, RRAS, in the GDP-bound state
To be Published
2GJS
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BU of 2gjs by Molmil
The crystal structure of human RRAD in complex with GDP
Descriptor: GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-31
Release date:2006-04-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human RRAD in complex with GDP
To be Published

220113

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