3PH7
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![BU of 3ph7 by Molmil](/molmil-images/mine/3ph7) | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | Farnesyl pyrophosphate synthase, GERANYLGERANYL DIPHOSPHATE | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites. J.Biol.Chem., 286, 2011
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3QJ7
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![BU of 3qj7 by Molmil](/molmil-images/mine/3qj7) | Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-01-28 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition To be Published
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3QWP
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![BU of 3qwp by Molmil](/molmil-images/mine/3qwp) | Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1 | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ... | Authors: | Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3 To be Published
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3HIX
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![BU of 3hix by Molmil](/molmil-images/mine/3hix) | Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. Northeast Structural Genomics Consortium Target NsR437i | Descriptor: | Alr3790 protein, MANGANESE (II) ION | Authors: | Vorobiev, S, Chen, Y, Forouhar, F, Maglaqui, M, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-20 | Release date: | 2009-05-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of the Rhodanese_3 like domain from Anabaena sp Alr3790 protein. To be Published
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3HFQ
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![BU of 3hfq by Molmil](/molmil-images/mine/3hfq) | Crystal structure of the lp_2219 protein from Lactobacillus plantarum. Northeast Structural Genomics Consortium Target LpR118. | Descriptor: | PHOSPHATE ION, uncharacterized protein lp_2219 | Authors: | Vorobiev, S.M, Scott, L, Schauder, C, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-05-12 | Release date: | 2009-05-26 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | Crystal structure of the lp_2219 protein from Lactobacillus plantarum. To be Published
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2F57
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![BU of 2f57 by Molmil](/molmil-images/mine/2f57) | Crystal Structure Of The Human P21-Activated Kinase 5 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, Serine/threonine-protein kinase PAK 7 | Authors: | Eswaran, J, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Bray, J, Das, S, Savitsky, P, Smee, C, Burgess, N, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-25 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure, 15, 2007
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2FCF
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![BU of 2fcf by Molmil](/molmil-images/mine/2fcf) | 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
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3MQ4
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![BU of 3mq4 by Molmil](/molmil-images/mine/3mq4) | Metabotropic glutamate receptor mGluR7 complexed with LY341495 antagonist | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, Metabotropic glutamate receptor 7 | Authors: | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, He, H, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Cossar, D, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-27 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | mGluR7 complexed with LY341495 To be Published
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4LU1
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![BU of 4lu1 by Molmil](/molmil-images/mine/4lu1) | Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A | Descriptor: | Maf-like protein YceF, UNKNOWN ATOM OR ION | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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3MA6
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![BU of 3ma6 by Molmil](/molmil-images/mine/3ma6) | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1 | Descriptor: | 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | Wernimont, A.K, Qiu, W, Amani, M, Artz, J.D, Hassani, A.A, Senisterra, G, Vedadi, M, Sibley, L.D, Lourido, S, Shokat, K, Zhang, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-23 | Release date: | 2010-07-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1 To be Published
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4MI0
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![BU of 4mi0 by Molmil](/molmil-images/mine/4mi0) | Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2) | Descriptor: | Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-30 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations. Plos One, 8, 2013
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3NIE
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![BU of 3nie by Molmil](/molmil-images/mine/3nie) | Crystal Structure of PF11_0147 | Descriptor: | MAP2 kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Cossar, D, Amani, M, Artz, J.D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-15 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of PF11_0147 To be Published
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3NO9
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![BU of 3no9 by Molmil](/molmil-images/mine/3no9) | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis | Descriptor: | Fumarate hydratase class II | Authors: | Li, H, Swanson, S, Yu, M, Hung, L.-W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-06-25 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis To be Published
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3EQE
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![BU of 3eqe by Molmil](/molmil-images/mine/3eqe) | Crystal structure of the YubC protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR112. | Descriptor: | FE (III) ION, Putative cystein dioxygenase | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Benach, J, Forouhar, F, Clayton, G, Cooper, B, Wang, H, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-09-30 | Release date: | 2008-10-14 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Crystal structure of the YubC protein from Bacillus subtilis. To be Published
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3O4Y
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![BU of 3o4y by Molmil](/molmil-images/mine/3o4y) | Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610 | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 3, GLYCEROL, ... | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610 TO BE PUBLISHED
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5TM0
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![BU of 5tm0 by Molmil](/molmil-images/mine/5tm0) | Solution NMR structures of two alternative conformations of E. coli tryptophan repressor in dynamic equilibrium | Descriptor: | Trp operon repressor | Authors: | Harish, B, Swapna, G.V.T, Kornhaber, G.J, Montelione, G.T, Carey, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2016-10-12 | Release date: | 2017-10-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR. Proteins, 85, 2017
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3NWN
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![BU of 3nwn by Molmil](/molmil-images/mine/3nwn) | Crystal structure of the human KIF9 motor domain in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF9, ... | Authors: | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-09 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human KIF9 motor domain in complex with ADP To be Published
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3FIA
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![BU of 3fia by Molmil](/molmil-images/mine/3fia) | Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e. | Descriptor: | CALCIUM ION, Intersectin-1, SULFATE ION | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-12-11 | Release date: | 2008-12-30 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of the EH 1 domain from human intersectin-1 protein. To be Published
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3ORL
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![BU of 3orl by Molmil](/molmil-images/mine/3orl) | Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 3) | Descriptor: | MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase | Authors: | Echols, N, Lombana, T.N, Thomsen, N.D, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-09-07 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB Structure, 18, 2010
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3ORP
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![BU of 3orp by Molmil](/molmil-images/mine/3orp) | Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 5) | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase | Authors: | Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-09-07 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB Structure, 18, 2010
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4QST
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![BU of 4qst by Molmil](/molmil-images/mine/4qst) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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3EXZ
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![BU of 3exz by Molmil](/molmil-images/mine/3exz) | Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. Northeast Structural Genomics Consortium target RrR103a. | Descriptor: | MaoC-like dehydratase | Authors: | Vorobiev, S.M, Su, M, Seetharaman, J, Wang, H, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-17 | Release date: | 2008-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the MaoC-like dehydratase from Rhodospirillum rubrum. To be Published
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4QSP
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![BU of 4qsp by Molmil](/molmil-images/mine/4qsp) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, N(6)-ACETYLLYSINE, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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4QSV
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![BU of 4qsv by Molmil](/molmil-images/mine/4qsv) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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3OOM
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![BU of 3oom by Molmil](/molmil-images/mine/3oom) | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, Activin receptor type-1, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-31 | Release date: | 2010-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507 To be Published
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