8YFY
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![BU of 8yfy by Molmil](/molmil-images/mine/8yfy) | CRYSTAL STRUCTURE OF THE EST1 H274D MUTANT AT PH 4.2 | Descriptor: | Carboxylesterase, octyl beta-D-glucopyranoside | Authors: | Unno, H, Oshima, Y, Nishino, T, Nakayama, T, Kusunoki, M. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Lowering pH optimum of activity of SshEstI, a slightly alkaliphilic archaeal esterase of the hormone-sensitive lipase family. J.Biosci.Bioeng., 2024
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2P0K
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![BU of 2p0k by Molmil](/molmil-images/mine/2p0k) | Crystal structure of SCMH1 | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Polycomb protein SCMH1 | Authors: | Herzanych, N, Senisterra, G, Liu, Y, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of SCMH1 To be Published
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4B00
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![BU of 4b00 by Molmil](/molmil-images/mine/4b00) | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | Descriptor: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides. J. Med. Chem., 55, 2012
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2OVJ
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![BU of 2ovj by Molmil](/molmil-images/mine/2ovj) | The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP. | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1 | Authors: | Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-14 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP. To be Published
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2ONU
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![BU of 2onu by Molmil](/molmil-images/mine/2onu) | Plasmodium falciparum ubiquitin conjugating enzyme PF10_0330, putative homologue of human UBE2H | Descriptor: | TETRAETHYLENE GLYCOL, Ubiquitin-conjugating enzyme, putative | Authors: | Dong, A, Lew, J, Lin, L, Hassanali, A, Zhao, Y, Senisterra, G, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Hui, R, Brokx, S.J, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-24 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Plasmodium falciparum ubiquitin conjugating enzyme PF10_0330, putative homologue of human UBE2H To be Published
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2QG8
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![BU of 2qg8 by Molmil](/molmil-images/mine/2qg8) | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Acyl Carrier Protein Synthase PY06285, MAGNESIUM ION | Authors: | Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Brokx, S, Altamentova, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound TO BE PUBLISHED
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2QNW
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![BU of 2qnw by Molmil](/molmil-images/mine/2qnw) | Toxoplasma gondii apicoplast-targeted acyl carrier protein | Descriptor: | Acyl carrier protein, SODIUM ION, SULFATE ION, ... | Authors: | Lunin, V.V, Wernimont, A, Lew, J, Qiu, W, Lin, L, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-19 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Toxoplasma gondii apicoplast-targeted acyl carrier protein. To be Published
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2QG7
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![BU of 2qg7 by Molmil](/molmil-images/mine/2qg7) | Plasmodium vivax ethanolamine kinase Pv091845 | Descriptor: | SULFATE ION, ethanolamine kinase Pv091845 | Authors: | Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Plasmodium vivax ethanolamine kinase Pv091845 TO BE PUBLISHED
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2QNR
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![BU of 2qnr by Molmil](/molmil-images/mine/2qnr) | Human septin 2 in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Septin-2, UNKNOWN ATOM OR ION | Authors: | Rabeh, W.M, Nedyalkova, L, Tempel, W, Landry, R, Crombet, L, Kozieradzki, I, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-19 | Release date: | 2007-07-31 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human septin 2 in complex with GDP. To be Published
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6DK3
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![BU of 6dk3 by Molmil](/molmil-images/mine/6dk3) | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 | Descriptor: | Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-28 | Release date: | 2018-06-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 to be published
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4AZY
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![BU of 4azy by Molmil](/molmil-images/mine/4azy) | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) | Descriptor: | (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... | Authors: | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | Deposit date: | 2012-06-27 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides. J. Med. Chem., 55, 2012
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6E24
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![BU of 6e24 by Molmil](/molmil-images/mine/6e24) | Ternary structure of c-Myc-TBP-TAF1 | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-07-10 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein. Nat.Struct.Mol.Biol., 26, 2019
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4ACU
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![BU of 4acu by Molmil](/molmil-images/mine/4acu) | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14 | Descriptor: | (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | Deposit date: | 2011-12-19 | Release date: | 2012-02-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Bioorg. Med. Chem. Lett., 22, 2012
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2PLU
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![BU of 2plu by Molmil](/molmil-images/mine/2plu) | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120 | Descriptor: | 20k cyclophilin, putative | Authors: | Wernimont, A.K, Lew, J, Hills, T, Kozieradzki, I, Lin, Y.H, Hassanali, A, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-20 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120. To be Published
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2POY
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![BU of 2poy by Molmil](/molmil-images/mine/2poy) | Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120 in complex with cyclosporin A | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | Authors: | Wernimont, A.K, Lew, J, Hills, T, Kozieradzki, I, Lin, Y.H, Hassanali, A, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-04-27 | Release date: | 2007-05-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cryptosporidium Parvum Cyclophilin Type Peptidyl-Prolyl Cis-Trans Isomerase Cgd2_4120 in Complex with Cyclosporin A. To be Published
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2F73
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![BU of 2f73 by Molmil](/molmil-images/mine/2f73) | Crystal structure of human fatty acid binding protein 1 (FABP1) | Descriptor: | Fatty acid-binding protein, liver | Authors: | Kursula, P, Thorsell, A.G, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, van den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-30 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human FABP1 To be Published
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2P1I
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![BU of 2p1i by Molmil](/molmil-images/mine/2p1i) | Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671) | Descriptor: | FE (III) ION, Ribonucleotide reductase, small chain | Authors: | Wernimont, A.K, Dong, A, Choe, J, Gao, M, Walker, J, Lew, J, Alam, Z, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-05 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671) To be Published
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6E16
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![BU of 6e16 by Molmil](/molmil-images/mine/6e16) | Ternary structure of c-Myc-TBP-TAF1 | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-07-09 | Release date: | 2019-10-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein. Nat.Struct.Mol.Biol., 26, 2019
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4ACX
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![BU of 4acx by Molmil](/molmil-images/mine/4acx) | Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23 | Descriptor: | (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1 | Authors: | Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S. | Deposit date: | 2011-12-20 | Release date: | 2012-02-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. Bioorg. Med. Chem. Lett., 22, 2012
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2ODE
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![BU of 2ode by Molmil](/molmil-images/mine/2ode) | Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ... | Authors: | Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-22 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 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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2R0J
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![BU of 2r0j by Molmil](/molmil-images/mine/2r0j) | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum | Descriptor: | Ubiquitin carrier protein | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-08-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the putative ubiquitin conjugating enzyme, PFE1350c, from Plasmodium falciparum. To be Published
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2BR9
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![BU of 2br9 by Molmil](/molmil-images/mine/2br9) | 14-3-3 Protein Epsilon (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN EPSILON, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | Authors: | Yang, X, Elkins, J.M, Soundararajan, M, Fedorov, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A. | Deposit date: | 2005-05-03 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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1Z6G
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![BU of 1z6g by Molmil](/molmil-images/mine/1z6g) | Crystal structure of guanylate kinase from Plasmodium falciparum | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, guanylate kinase | Authors: | Mulichak, A.M, Lew, J, Artz, J, Choe, J, Walker, J.R, Zhao, Y, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Gao, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-22 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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1ZO2
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![BU of 1zo2 by Molmil](/molmil-images/mine/1zo2) | Structure of nuclear transport factor 2 (Ntf2) from Cryptosporidium parvum | Descriptor: | nuclear transport factor 2 | Authors: | Choe, J, Artz, J.D, Gao, M, Lew, J, Zhao, Y, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2005-05-12 | Release date: | 2005-05-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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438D
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![BU of 438d by Molmil](/molmil-images/mine/438d) | |