4IA9
 
 | | Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
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4QL1
 | | Crystal structure of human WDR5 in complex with compound OICR-9429 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | | Authors: | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-10 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
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1S3M
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, NICKEL (II) ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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1S3N
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, MANGANESE (II) ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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1S3L
 | | Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase | | Descriptor: | Hypothetical protein MJ0936, PHOSPHATE ION, UNKNOWN ATOM OR ION | | Authors: | Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-01-13 | | Release date: | 2004-08-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
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3F3K
 | | The structure of uncharacterized protein YKR043C from Saccharomyces cerevisiae. | | Descriptor: | GLYCEROL, Uncharacterized protein YKR043C | | Authors: | Cuff, M, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-10-30 | | Release date: | 2008-12-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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3LL4
 | | Structure of the H13A mutant of Ykr043C in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Uncharacterized protein YKR043C | | Authors: | Singer, A, Xu, X, Cui, H, Dong, A, Stogios, P.J, Edwards, A.M, Joachimiak, A, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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3LG2
 | | A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking | | Descriptor: | PHOSPHATE ION, Uncharacterized protein YKR043C | | Authors: | Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-19 | | Release date: | 2010-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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8CBB
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3BRM
 | | Crystal structure of the covalent complex between the Bacillus subtilis glutaminase YbgJ and 5-oxo-L-norleucine formed by reaction of the protein with 6-diazo-5-oxo-L-norleucine | | Descriptor: | 5-OXO-L-NORLEUCINE, Glutaminase 1 | | Authors: | Singer, A.U, Kim, Y, Dementieva, I, Vinokour, E, Joachimiak, A, Savchenko, A, Yakunin, A. | | Deposit date: | 2007-12-21 | | Release date: | 2008-05-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
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1MKI
 | | Crystal Structure of Bacillus Subtilis Probable Glutaminase, APC1040 | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Probable Glutaminase ybgJ | | Authors: | Kim, Y, Dementieva, I, Vinokour, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-08-29 | | Release date: | 2003-06-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
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1Z9V
 | | Solution Structure of MTH0776 from Methanobacterium thermoautotrophicum (strain H) | | Descriptor: | conserved hypothetical protein MTH0776 | | Authors: | Amegbey, G, Stothard, P, Iakounine, A, Yee, A, Arrowsmith, C.H, Wishart, D.S. | | Deposit date: | 2005-04-04 | | Release date: | 2005-11-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of MTH0776 from Methanobacterium Thermoautotrophicum.
J.Biomol.Nmr, 33, 2005
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8PKY
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8PM1
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4JLG
 | | SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1L6R
 | | Crystal Structure of Thermoplasma acidophilum 0175 (APC0014) | | Descriptor: | CALCIUM ION, FORMIC ACID, HYPOTHETICAL PROTEIN TA0175 | | Authors: | Kim, Y, Joachimiak, A, Edwards, A.M, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-03-13 | | Release date: | 2003-01-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure- and function-based characterization of a new phosphoglycolate phosphatase from Thermoplasma acidophilum.
J.Biol.Chem., 279, 2004
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1U60
 | | MCSG APC5046 Probable glutaminase ybaS | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Probable glutaminase ybaS | | Authors: | Chang, C, Cuff, M.E, Joachimiak, A, Savchenko, A, Edwards, A, Skarina, T, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-28 | | Release date: | 2004-09-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
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5EAP
 | | Crystal structure of human WDR5 in complex with compound 9e | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-16 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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5EAR
 | | Crystal structure of human WDR5 in complex with compound 9d | | Descriptor: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-16 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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6SZM
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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5EAM
 | | Crystal structure of human WDR5 in complex with compound 9o | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... | | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-16 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
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