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2F8A
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BU of 2f8a by Molmil
Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 1
Descriptor: Glutathione peroxidase 1, MALONIC ACID
Authors:Kavanagh, K.L, Johansson, C, Smee, C, Gileadi, O, von Delft, F, Weigelt, J, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2005-12-02
Release date:2005-12-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 1
To be Published
2FLS
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BU of 2fls by Molmil
Crystal structure of Human Glutaredoxin 2 complexed with glutathione
Descriptor: GLUTATHIONE, Glutaredoxin-2
Authors:Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-01-06
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Human Glutaredoxin 2 complexed with glutathione
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
2W2I
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BU of 2w2i by Molmil
Crystal structure of the human 2-oxoglutarate oxygenase LOC390245
Descriptor: 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ...
Authors:Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U.
Deposit date:2008-10-31
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
2VX3
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BU of 2vx3 by Molmil
Crystal structure of the human dual specificity tyrosine- phosphorylation-regulated kinase 1A
Descriptor: CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, HEXAETHYLENE GLYCOL, ...
Authors:Roos, A.K, Soundararajan, M, Pike, A.C.W, Federov, O, King, O, Burgess-Brown, N, Philips, C, Filippakopoulos, P, Arrowsmith, C.H, Wikstrom, M, Edwards, A, von Delft, F, Bountra, C, Knapp, S.
Deposit date:2008-06-30
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
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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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
2VN9
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BU of 2vn9 by Molmil
Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform 1, CAMKD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CHLORIDE ION, ...
Authors:Roos, A.K, Rellos, P, Salah, E, Pike, A.C.W, Fedorov, O, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S.
Deposit date:2008-01-31
Release date:2008-02-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2V1W
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BU of 2v1w by Molmil
Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ...
Authors:Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
2V7O
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BU of 2v7o by Molmil
Crystal structure of human calcium-calmodulin-dependent protein kinase II gamma
Descriptor: 1,2-ETHANEDIOL, BISINDOLYLMALEIMIDE IX, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II GAMMA CHAIN
Authors:Pike, A.C.W, Rellos, P, Fedorov, O, Burgess-Brown, N, Shrestha, L, Ugochukwu, E, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Knapp, S.
Deposit date:2007-07-31
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2V4Z
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BU of 2v4z by Molmil
The crystal structure of the human G-protein subunit alpha (GNAI3) in complex with an engineered regulator of G-protein signaling type 2 domain (RGS2)
Descriptor: GUANINE NUCLEOTIDE-BINDING PROTEIN G(K) SUBUNIT ALPHA, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Roos, A.K, Soundararajan, M, Pike, A.C.W, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S.
Deposit date:2008-09-30
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Determinants of G-Protein Alpha Subunit Selectivity by Regulator of G-Protein Signaling 2(Rgs2).
J.Biol.Chem., 284, 2009
2VD7
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BU of 2vd7 by Molmil
Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid
Descriptor: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
Authors:Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U.
Deposit date:2007-10-01
Release date:2007-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
2VO1
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BU of 2vo1 by Molmil
CRYSTAL STRUCTURE OF THE SYNTHETASE DOMAIN OF HUMAN CTP SYNTHETASE
Descriptor: CTP SYNTHASE 1, SULFATE ION
Authors:Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Kotenyoa, T, Moche, M, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P.
Deposit date:2008-02-08
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Synthetase Domain of Human Ctp Synthetase, a Target for Anticancer Therapy.
Acta Crystallogr.,Sect.F, 62, 2006
2WZ1
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BU of 2wz1 by Molmil
STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN SOLUBLE GUANYLATE CYCLASE 1 BETA 3.
Descriptor: 1,2-ETHANEDIOL, GUANYLATE CYCLASE SOLUBLE SUBUNIT BETA-1
Authors:Allerston, C.K, Cooper, C.D.O, Muniz, J, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2009-11-23
Release date:2009-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structures of the Catalytic Domain of Human Soluble Guanylate Cyclase.
Plos One, 8, 2013
2V62
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BU of 2v62 by Molmil
Structure of vaccinia-related kinase 2
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SERINE/THREONINE-PROTEIN KINASE VRK2, ...
Authors:Bunkoczi, G, Eswaran, J, Cooper, C, Fedorov, O, Keates, T, Rellos, P, Salah, E, Savitsky, P, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S.
Deposit date:2007-07-13
Release date:2007-08-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Pseudokinase Vrk3 Reveals a Degraded Catalytic Site, a Highly Conserved Kinase Fold, and a Putative Regulatory Binding Site.
Structure, 17, 2009
2WO6
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BU of 2wo6 by Molmil
Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus substrate peptide
Descriptor: ARTIFICIAL CONSENSUS SEQUENCE, CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, ...
Authors:Roos, A.K, Soundararajan, M, Elkins, J.M, Fedorov, O, Eswaran, J, Phillips, C, Pike, A.C.W, Ugochukwu, E, Muniz, J.R.C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A, Bountra, C, Knapp, S.
Deposit date:2009-07-22
Release date:2009-08-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
2X47
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BU of 2x47 by Molmil
Crystal structure of human MACROD1
Descriptor: MACRO DOMAIN-CONTAINING PROTEIN 1, SULFATE ION
Authors:Vollmar, M, Phillips, C, Mehrotra, P.V, Ahel, I, Krojer, T, Yue, W, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O.
Deposit date:2010-01-28
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of Macro Domain Proteins as Novel O-Acetyl-Adp-Ribose Deacetylases.
J.Biol.Chem., 286, 2011
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
2J2I
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BU of 2j2i by Molmil
Crystal Structure of the humab PIM1 in complex with LY333531
Descriptor: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
Authors:Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
Deposit date:2006-08-16
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
2JKU
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BU of 2jku by Molmil
Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase
Descriptor: PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL
Authors:Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U.
Deposit date:2008-08-30
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment.
Biochemistry, 49, 2010
2IHB
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BU of 2ihb by Molmil
Crystal structure of the heterodimeric complex of human RGS10 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Ugochukwu, E, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2IWR
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BU of 2iwr by Molmil
Gtpase Like Domain Of Centaurin Gamma 1 (Human)
Descriptor: CENTAURIN GAMMA 1
Authors:Elkins, J.M, Soundararajan, M, Yang, X, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-07-03
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase.
Biochem.J., 401, 2007
2IHD
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BU of 2ihd by Molmil
Crystal structure of Human Regulator of G-protein signaling 8, RGS8
Descriptor: CHLORIDE ION, Regulator of G-protein signaling 8
Authors:Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Salah, E, Gileadi, C, Burgess, N, Bhatia, C, Gileadi, O, Bray, J, Elkins, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2JAV
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BU of 2jav by Molmil
Human Kinase with pyrrole-indolinone ligand
Descriptor: 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-11-30
Release date:2006-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Regulation of the Human Nek2 Centrosomal Kinase
J.Biol.Chem., 282, 2007
2IK8
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Crystal structure of the heterodimeric complex of human RGS16 and activated Gi alpha 1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ...
Authors:Soundararajan, M, Turnbull, A.P, Papagrigoriou, E, Debreczeni, J, Gorrec, F, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-10-02
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.71 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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