5ENF
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![BU of 5enf by Molmil](/molmil-images/mine/5enf) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5E7D
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![BU of 5e7d by Molmil](/molmil-images/mine/5e7d) | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand | Descriptor: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | Authors: | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-12 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand To Be Published
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2Q0N
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![BU of 2q0n by Molmil](/molmil-images/mine/2q0n) | Structure of human p21 activating kinase 4 (PAK4) in complex with a consensus peptide | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase PAK 4, ... | Authors: | Filippakopoulos, P, Eswaran, J, Turnbull, A, Papagrigoriou, E, Pike, A.W, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-22 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of human p21 activating kinase 4 (PAK4) in complex with a consensus peptide. To be Published
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5ENB
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![BU of 5enb by Molmil](/molmil-images/mine/5enb) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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5ENI
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![BU of 5eni by Molmil](/molmil-images/mine/5eni) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3QWM
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![BU of 3qwm by Molmil](/molmil-images/mine/3qwm) | Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a | Descriptor: | IQ motif and SEC7 domain-containing protein 1 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Feller, S, Janning, M, Sabe, H, Krojer, T, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-28 | Release date: | 2011-04-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a to be published
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2OME
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![BU of 2ome by Molmil](/molmil-images/mine/2ome) | Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H) | Descriptor: | C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Pilka, E.S, Guo, K, Rojkova, A, Debreczeni, J.E, Kavanagh, K.L, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-22 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H) To be Published
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5ENH
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![BU of 5enh by Molmil](/molmil-images/mine/5enh) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3IB3
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![BU of 3ib3 by Molmil](/molmil-images/mine/3ib3) | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus | Descriptor: | CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ... | Authors: | Domagalski, M.J, Chruszcz, M, Osinski, T, Skarina, T, Onopriyenko, O, Cymborowski, M, Shumilin, I.A, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-15 | Release date: | 2009-08-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus To be Published
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3IWH
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![BU of 3iwh by Molmil](/molmil-images/mine/3iwh) | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus | Descriptor: | BETA-MERCAPTOETHANOL, Rhodanese-like domain protein | Authors: | Kim, Y, Chruszcz, M, Minor, W, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-02 | Release date: | 2009-09-15 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus To be Published
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3III
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![BU of 3iii by Molmil](/molmil-images/mine/3iii) | 1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus | Descriptor: | CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ... | Authors: | Osinski, T, Chruszcz, M, Domagalski, M.J, Cymborowski, M, Shumilin, I.A, Skarina, T, Onopriyenko, O, Zimmerman, M.D, Savchenko, A, Edwards, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-01 | Release date: | 2009-08-18 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus To be Published
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3OET
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![BU of 3oet by Molmil](/molmil-images/mine/3oet) | D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD | Descriptor: | Erythronate-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Edwards, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-08-13 | Release date: | 2010-08-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD To be Published
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5FY0
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![BU of 5fy0 by Molmil](/molmil-images/mine/5fy0) | Crystal structure of JmjC domain of human histone demethylase UTY in complex with L-malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, HISTONE DEMETHYLASE UTY, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2016-03-03 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with L-Malate To be Published
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3LMB
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![BU of 3lmb by Molmil](/molmil-images/mine/3lmb) | The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS | Descriptor: | Uncharacterized protein | Authors: | Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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3LNP
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![BU of 3lnp by Molmil](/molmil-images/mine/3lnp) | Crystal Structure of Amidohydrolase family Protein OLEI01672_1_465 from Oleispira antarctica | Descriptor: | ACETIC ACID, Amidohydrolase family Protein OLEI01672_1_465, CALCIUM ION, ... | Authors: | Kim, Y, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-02 | Release date: | 2010-02-16 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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3PEA
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![BU of 3pea by Molmil](/molmil-images/mine/3pea) | Crystal structure of enoyl-CoA hydratase from Bacillus anthracis str. 'Ames Ancestor' | Descriptor: | ACETATE ION, CITRATE ANION, Enoyl-CoA hydratase/isomerase family protein, ... | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-25 | Release date: | 2010-11-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.817 Å) | Cite: | Crystal structure of enoyl-CoA hydratase from Bacillus anthracis str. 'Ames Ancestor' To be Published
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3PFI
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![BU of 3pfi by Molmil](/molmil-images/mine/3pfi) | 2.7 Angstrom resolution crystal structure of a probable holliday junction DNA helicase (ruvB) from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with adenosine-5'-diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase ruvB | Authors: | Halavaty, A.S, Wawrzak, Z, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-28 | Release date: | 2010-11-10 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | 2.7 Angstrom resolution crystal structure of a probable holliday junction DNA helicase (ruvB) from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with adenosine-5'-diphosphate To be Published
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2UZP
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![BU of 2uzp by Molmil](/molmil-images/mine/2uzp) | Crystal structure of the C2 domain of human protein kinase C gamma. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ... | Authors: | Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-04-30 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of C2 Domain of Protein Kinase C Gamma To be Published
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3N3T
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![BU of 3n3t by Molmil](/molmil-images/mine/3n3t) | Crystal structure of putative diguanylate cyclase/phosphodiesterase complex with cyclic di-gmp | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-20 | Release date: | 2010-06-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insight into the mechanism of c-di-GMP hydrolysis by EAL domain phosphodiesterases. J.Mol.Biol., 402, 2010
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2PQ5
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![BU of 2pq5 by Molmil](/molmil-images/mine/2pq5) | 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
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3OSU
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![BU of 3osu by Molmil](/molmil-images/mine/3osu) | Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, FabG, from Staphylococcus aureus | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Edwards, A, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-09 | Release date: | 2010-09-29 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, FabG, from Staphylococcus aureus To be Published
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2UVQ
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![BU of 2uvq by Molmil](/molmil-images/mine/2uvq) | Crystal structure of human uridine-cytidine kinase 1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, URIDINE-CYTIDINE KINASE 1 | Authors: | Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P. | Deposit date: | 2007-03-13 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Human Uridine-Cytidine Kinase 1 To be Published
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3OPQ
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![BU of 3opq by Molmil](/molmil-images/mine/3opq) | Phosphoribosylaminoimidazole carboxylase with fructose-6-phosphate bound to the central channel of the octameric protein structure. | Descriptor: | CHLORIDE ION, FORMIC ACID, FRUCTOSE -6-PHOSPHATE, ... | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-01 | Release date: | 2010-11-17 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphoribosylaminoimidazole carboxylase with fructose-6-phosphate bound to the central channel of the octameric protein structure. To be Published
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2UYY
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![BU of 2uyy by Molmil](/molmil-images/mine/2uyy) | Structure of the cytokine-like nuclear factor n-pac | Descriptor: | N-PAC PROTEIN, POTASSIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Tickle, J, Pilka, E.S, Bunkoczi, G, Berridge, G, Smee, C, Kavanagh, K.L, Hozjan, V, Niesen, F.H, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | Deposit date: | 2007-04-20 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Structure of the Cytokine-Like Nuclear Factor N-Pac To be Published
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7B8W
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![BU of 7b8w by Molmil](/molmil-images/mine/7b8w) | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 1 | Authors: | Lee, H, Yosaatmadja, Y, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Elkins, J.M. | Deposit date: | 2020-12-13 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of LIMK1 Kinase domain with allosteric inhibitor TH-470 To Be Published
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