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7ZEJ
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BU of 7zej by Molmil
Crystal structure of the human MGC45594 gene product in complex with celecoxib.
Descriptor: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3
Authors:Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC)
Deposit date:2022-03-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
3BHH
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BU of 3bhh by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase IIB isoform 1 (CAMK2B)
Descriptor: Calcium/calmodulin-dependent protein kinase type II beta chain, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
Authors:Filippakopoulos, P, Rellos, P, Niesen, F, Burgess, N, Bullock, A, Berridge, G, Pike, A.C.W, Ugochukwu, E, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-11-28
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Calcium/Calmodulin-Dependent Protein Kinase IIB Isoform 1 (CAMK2B).
To be Published
3BQR
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BU of 3bqr by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand
Descriptor: 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid, Death-associated protein kinase 3, GLYCEROL, ...
Authors:Filippakopoulos, P, Rellos, P, Fedorov, O, Niesen, F, Pike, A.C.W, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-12-20
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Human Death Associated Protein Kinase 3 (DAPK3) in Complex with an Imidazo-Pyridazine Ligand.
To be Published
1QYM
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BU of 1qym by Molmil
X-ray structure of human gankyrin
Descriptor: 26S proteasome non-ATPase regulatory subunit 10
Authors:Manjasetty, B.A, Quedenau, C, Sievert, V, Buessow, K, Niesen, F, Delbrueck, H, Heinemann, U.
Deposit date:2003-09-11
Release date:2003-11-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray structure of human gankyrin, the product of a gene linked to hepatocellular carcinoma.
Proteins, 55, 2004
2NZL
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BU of 2nzl by Molmil
Crystal structure of human hydroxyacid oxidase 1
Descriptor: FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1
Authors:Ugochukwu, E, Kavanagh, K, Pilka, E, Berridge, G, Debreczeni, J.E, Papagrigoriou, E, Turnbull, A, Niesen, F, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-11-24
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of human hydroxyacid oxidase 1
To be Published
2PQ5
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BU of 2pq5 by Molmil
Crystal structure of Dual specificity protein phosphatase 13 (DUSP13)
Descriptor: Dual specificity protein phosphatase 13
Authors:Ugochukwu, E, Salah, E, Savitsky, P, Barr, A, Pantic, N, Niesen, F, Burgess-Brown, N, Berridge, G, Bunkoczi, G, Uppenberg, J, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-01
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Dual specificity protein phosphatase 13 (DUSP13).
To be Published
2CMW
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BU of 2cmw by Molmil
Structure of Human Casein kinase 1 gamma-1 in complex with 2-(2- Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
Descriptor: 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, ACETATE ION, CASEIN KINASE I ISOFORM GAMMA-1, ...
Authors:Bunkoczi, G, Rellos, P, Das, S, Savitsky, P, Niesen, F, Sobott, F, Fedorov, O, Pike, A.C.W, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
Deposit date:2006-05-15
Release date:2006-06-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2-Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine (Casp Target)
To be Published
2AR7
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BU of 2ar7 by Molmil
Crystal structure of human adenylate kinase 4, AK4
Descriptor: Adenylate kinase 4
Authors:Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC)
Deposit date:2005-08-19
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human adenylate kinase 4, AK4
To be Published
2BBW
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BU of 2bbw by Molmil
Crystal structure of human adenylate kinase 4 (AK4) in complex with diguanosine pentaphosphate
Descriptor: DIGUANOSINE-PENTAPHOSPHATE, adenylate kinase 4, AK4
Authors:Filippakopoulos, P, Turnbull, A.P, Fedorov, O, Weigelt, J, Bunkoczi, G, Ugochukwu, E, Debreczeni, J, Niesen, F, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human adenylate kinase 4 (AK4) in complex with diguanosine pentaphosphate
To be Published
2HW5
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BU of 2hw5 by Molmil
The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
Descriptor: CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION
Authors:Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-07-31
Release date:2006-08-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1
To be Published
2W4O
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BU of 2w4o by Molmil
Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide)
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV
Authors:Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S.
Deposit date:2008-11-28
Release date:2009-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide)
To be Published
2X7H
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BU of 2x7h by Molmil
Crystal structure of the human MGC45594 gene product in complex with fenoprofen
Descriptor: 1,2-ETHANEDIOL, FENOPROFEN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Vollmar, M, Chaikuad, A, Pike, A.C.W, von Delft, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-02-26
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Fenoprofen
To be Published
2VD5
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BU of 2vd5 by Molmil
Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII
Descriptor: 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN
Authors:Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S.
Deposit date:2007-09-30
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Dystrophia Myotonica Protein Kinase.
Protein Sci., 18, 2009
2W98
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BU of 2w98 by Molmil
CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE
Descriptor: (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ...
Authors:Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-01-22
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2W4Q
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BU of 2w4q by Molmil
Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-11-30
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2WEK
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BU of 2wek by Molmil
Crystal structure of the human MGC45594 gene product in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-03-31
Release date:2009-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac
To be Published
2X1H
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Crystal structure of the human MGC45594 gene product in complex with raloxifene
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Shafqat, N, Yue, W.W, Pike, A.C.W, Niesen, F, Ugochukwu, E, Krojer, T, Chaikuad, A, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-12-24
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Raloxifene
To be Published
3BHY
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BU of 3bhy by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand
Descriptor: (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Death-associated protein kinase 3
Authors:Filippakopoulos, P, Rellos, P, Eswaran, J, Fedorov, O, Berridge, G, Niesen, F, Bracher, F, Huber, K, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-11-29
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J.Med.Chem., 55, 2012
2VSW
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BU of 2vsw by Molmil
The structure of the rhodanese domain of the human dual specificity phosphatase 16
Descriptor: DUAL SPECIFICITY PROTEIN PHOSPHATASE 16
Authors:Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S.
Deposit date:2008-04-30
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published
3B7O
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BU of 3b7o by Molmil
Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible active site
Descriptor: D-MALATE, Tyrosine-protein phosphatase non-receptor type 11
Authors:Ugochukwu, E, Barr, A, Patel, A, King, O, Niesen, F, Salah, E, Savitsky, P, Pilka, E.S, Elkins, J, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
Authors:Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
Deposit date:2010-05-07
Release date:2010-05-26
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
2IWI
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BU of 2iwi by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1
Descriptor: RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2
Authors:Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S.
Deposit date:2006-06-30
Release date:2006-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
PLoS ONE, 4, 2009
2QEP
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BU of 2qep by Molmil
Crystal structure of the D1 domain of PTPRN2 (IA2beta)
Descriptor: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase N2
Authors:Ugochukwu, E, Barr, A, Alfano, I, Berridge, G, Burgess-Brown, N, Das, S, Fedorov, O, King, O, Niesen, F, Watt, S, Savitsky, P, Salah, E, Pike, A.C.W, Bunkoczi, G, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-06-26
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
2QG4
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BU of 2qg4 by Molmil
Crystal structure of human UDP-glucose dehydrogenase product complex with UDP-glucuronate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Niesen, F, Smee, C, Berridge, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2ES0
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BU of 2es0 by Molmil
Structure of the regulator of G-protein signaling domain of RGS6
Descriptor: regulator of G-protein signalling 6
Authors:Schoch, G.A, Phillips, C, Turnbull, A, Niesen, F, Johansson, C, Elkins, J.M, Longman, E, Gilealdi, C, Sobott, F, Ball, L, Sundstrom, M, Edwards, A, Arrowsmith, C, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-10-25
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008

 

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