3H7W
 
 | | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 | | Descriptor: | 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | | Deposit date: | 2009-04-28 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
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2JJD
 | | Protein Tyrosine Phosphatase, Receptor Type, E isoform | | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-08 | | Last modified: | 2012-06-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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3H82
 | | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline | | Authors: | Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. | | Deposit date: | 2009-04-28 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B
J.Am.Chem.Soc., 131, 2009
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2JOX
 | | Embryonic Neural Inducing Factor Churchill is not a DNA-Binding Zinc Finger Protein: Solution Structure Reveals a Solvent-Exposed beta-Sheet and Zinc Binuclear Cluster | | Descriptor: | Churchill protein, ZINC ION | | Authors: | Lee, B.M, Buck-Koehntop, B.A, Martinez-Yamout, M.A, Gottesfeld, J.M, Dyson, H, Wright, P.E. | | Deposit date: | 2007-04-07 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Embryonic Neural Inducing Factor Churchill Is not a DNA-binding Zinc Finger Protein: Solution Structure Reveals a Solvent-exposed beta-Sheet and Zinc Binuclear Cluster
J.Mol.Biol., 371, 2007
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3H9F
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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2JAJ
 | | DDAH1 complexed with L-257 | | Descriptor: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
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3CEK
 | | Crystal structure of human dual specificity protein kinase (TTK) | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Roos, A, Pilka, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-29 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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3QQV
 | | Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum complexed with isoprenyl diphosphate and magnesium | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-02-16 | | Release date: | 2011-03-02 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3BDY
 | | Dual specific bH1 Fab in complex with VEGF | | Descriptor: | Fab Fragment -Heavy Chain, Fab Fragment -Light Chain, GLYCEROL, ... | | Authors: | Bostrom, J.M, Wiesmann, C, Appleton, B.A. | | Deposit date: | 2007-11-15 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
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3RJW
 | | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | | Descriptor: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-04-15 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
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3PVE
 | | Crystal structure of the G2 domain of Agrin from Mus Musculus | | Descriptor: | Agrin, Agrin protein | | Authors: | Sampathkumar, P, Do, J, Bain, K, Freeman, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-12-07 | | Release date: | 2011-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the G2 domain of Agrin from Mus Musculus
To be Published
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3ISW
 | | Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, Filamin-A | | Authors: | Xu, Z, Page, R, Qin, J, Ithychanda, S.S, Liu, J.M, Misra, S. | | Deposit date: | 2009-08-27 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical basis of the interaction between cystic fibrosis transmembrane conductance regulator and immunoglobulin-like repeats of filamin.
J.Biol.Chem., 285, 2010
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3GFW
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand | | Descriptor: | 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK | | Authors: | Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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3BI6
 | | Wee1 kinase complex with inhibitor PD352396 | | Descriptor: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3BIZ
 | | Wee1 kinase complex with inhibitor PD331618 | | Descriptor: | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-12-02 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3P8R
 | | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE FROM Vibrio cholerae | | Descriptor: | Geranyltranstransferase | | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-10-14 | | Release date: | 2010-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3IK4
 | | CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus | | Descriptor: | GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION | | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-05 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3BOX
 | | Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg | | Descriptor: | L-rhamnonate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-12-18 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
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3RMG
 | | Crystal structure of geranylgeranyl pyrophosphate synthase from bacteroides thetaiotaomicron | | Descriptor: | Octaprenyl-diphosphate synthase | | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-04-20 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3IIZ
 | | X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with S-adenosyl-L-methionine | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Biotin synthetase, putative, ... | | Authors: | Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C. | | Deposit date: | 2009-08-03 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins
Proc.Natl.Acad.Sci.USA, 2009
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3IIX
 | | X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with methionine and 5'deoxyadenosine | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBONATE ION, ... | | Authors: | Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C. | | Deposit date: | 2009-08-03 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins
Proc.Natl.Acad.Sci.USA, 2009
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3S1B
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3J8A
 | | Structure of the F-actin-tropomyosin complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S. | | Deposit date: | 2014-10-08 | | Release date: | 2014-12-10 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the F-actin--tropomyosin complex.
Nature, 519, 2015
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3E9V
 | | Crystal structure of human B-cell Translocation Gene 2 (BTG2) | | Descriptor: | 1,2-ETHANEDIOL, Protein BTG2 | | Authors: | Sampathkumar, P, Romero, R, Wasserman, S, Hu, S, Maletic, M, Freeman, J, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-08-23 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human B-cell Translocation Gene 2 (BTG2)
To be Published
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3H14
 | | Crystal structure of a putative aminotransferase from Silicibacter pomeroyi | | Descriptor: | Aminotransferase, classes I and II, GLYCEROL | | Authors: | Sampathkumar, P, Atwell, S, Wasserman, S, Miller, S, Bain, K, Rutter, M, Tarun, G, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-04-10 | | Release date: | 2009-05-05 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a putative aminotransferase from Silicibacter pomeroyi
TO BE PUBLISHED
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