3MY0
 
 | | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | | Authors: | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
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3MTN
 | | Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor | | Descriptor: | CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ... | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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3MTS
 | | Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | | Descriptor: | Histone-lysine N-methyltransferase SUV39H1 | | Authors: | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
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3N3K
 | | The catalytic domain of USP8 in complex with a USP8 specific inhibitor | | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-20 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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3MTC
 | | Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
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3OW8
 | | Crystal Structure of the WD repeat-containing protein 61 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 61 | | Authors: | Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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3NA1
 | | Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol | | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Adrenodoxin, mitochondrial, ... | | Authors: | Strushkevich, N.V, MacKenzie, F, Tempel, W, Botchkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J.U, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-31 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for pregnenolone biosynthesis by the mitochondrial monooxygenase system.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3N9V
 | | Crystal Structure of INPP5B | | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-31 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
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3N50
 | | Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains | | Descriptor: | Transcription factor COE3 | | Authors: | Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-24 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
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3P0N
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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3OMU
 | | Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative | | Descriptor: | 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83 | | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-27 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
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3O2G
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | Descriptor: | 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ... | | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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3O8V
 | | Crystal Structure of the Tudor Domains from FXR1 | | Descriptor: | Fragile X mental retardation syndrome-related protein 1 | | Authors: | Lam, R, Guo, Y.H, Adams-Cioaba, M, Bian, C.B, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-03 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
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3MEA
 | | Crystal structure of the SGF29 in complex with H3K4me3 | | Descriptor: | Histone H3, SAGA-associated factor 29 homolog | | Authors: | Bian, C, Xu, C, Tempel, W, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
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3P0P
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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3MHJ
 | | Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one | | Descriptor: | 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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3ME9
 | | Crystal structure of SGF29 in complex with H3K4me3 peptide | | Descriptor: | GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ... | | Authors: | Bian, C, Tempel, W, Xu, C, Guo, Y, Dong, A, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
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3P0Q
 | | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | | Descriptor: | N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ... | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-29 | | Release date: | 2010-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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3OMC
 | | Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R4me2s | | Descriptor: | CHLORIDE ION, SYNTHETIC PEPTIDE, Staphylococcal nuclease domain-containing protein 1 | | Authors: | Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3PKJ
 | | Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
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3PMI
 | | PWWP Domain of Human Mutated Melanoma-Associated Antigen 1 | | Descriptor: | DI(HYDROXYETHYL)ETHER, PWWP domain-containing protein MUM1, SULFATE ION, ... | | Authors: | Lam, R, Zeng, H, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-17 | | Release date: | 2010-12-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
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3PMT
 | | Crystal structure of the Tudor domain of human Tudor domain-containing protein 3 | | Descriptor: | TETRAETHYLENE GLYCOL, Tudor domain-containing protein 3 | | Authors: | Lam, R, Bian, C.B, Guo, Y.H, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-11-18 | | Release date: | 2010-12-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of TDRD3 and Methyl-Arginine Binding Characterization of TDRD3, SMN and SPF30.
Plos One, 7, 2012
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3PFS
 | | PWWP Domain of Human Bromodomain and PHD finger-containing protein 3 | | Descriptor: | Bromodomain and PHD finger-containing protein 3, SULFATE ION, ZINC ION | | Authors: | Lam, R, Zeng, H, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
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3PFW
 | | Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD, a binary form | | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ... | | Authors: | Chaikuad, A, Shafqat, N, Yue, W.W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS.
Biochem.J., 435, 2011
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