4IUI
 
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a | | Descriptor: | 4-[1-butyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-21 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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4IUV
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4IWV
 | | Crystals structure of Human Glucokinase in complex with small molecule activator | | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | | Deposit date: | 2013-01-24 | | Release date: | 2013-04-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
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4J33
 | | Crystal Structure of kynurenine 3-monooxygenase (KMO-394) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | Authors: | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
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4IUT
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4IX7
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2RDZ
 | | High Resolution Crystal Structure of the Escherichia coli Cytochrome c Nitrite Reductase. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cytochrome c-552, ... | | Authors: | Clarke, T.A, Hemmings, A.M, RIchardson, D.J. | | Deposit date: | 2007-09-25 | | Release date: | 2008-03-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Role of a Conserved Glutamine Residue in Tuning the Catalytic Activity of Escherichia coli Cytochrome c Nitrite Reductase.
Biochemistry, 47, 2008
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3PMQ
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2RHU
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2RI7
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2RI5
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4IUQ
 | | crystal structure of SHH1 SAWADEE domain | | Descriptor: | CYMAL-4, SAWADEE HOMEODOMAIN HOMOLOG 1, ZINC ION | | Authors: | Du, J, Patel, D.J. | | Deposit date: | 2013-01-21 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.809 Å) | | Cite: | Polymerase IV occupancy at RNA-directed DNA methylation sites requires SHH1.
Nature, 498, 2013
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4JO9
 | | Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex 1:2 stoichiometry | | Descriptor: | Nucleoporin p54, Nucleoporin p58/p45 | | Authors: | Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A. | | Deposit date: | 2013-03-18 | | Release date: | 2014-09-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
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4JNM
 | | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | | Deposit date: | 2013-03-15 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Bioorg.Med.Chem.Lett., 23, 2013
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4JS0
 | | Complex of Cdc42 with the CRIB-PR domain of IRSp53 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, Cell division control protein 42 homolog, ... | | Authors: | Kast, D.J, Dominguez, R. | | Deposit date: | 2013-03-22 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of IRSp53 inhibition and combinatorial activation by Cdc42 and downstream effectors.
Nat.Struct.Mol.Biol., 21, 2014
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2RHI
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2RHY
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4JCW
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4K8V
 | | Structure of cyclic GMP-AMP Synthase (cGAS) | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Gao, P, Wu, Y, Patel, D.J. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
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2R51
 | | Crystal Structure of mouse Vps26B | | Descriptor: | Vacuolar protein sorting-associated protein 26B | | Authors: | Owen, D.J, Teasdale, R.D, Collins, B.M. | | Deposit date: | 2007-09-02 | | Release date: | 2008-07-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Vps26B and mapping of its interaction with the retromer protein complex.
Traffic, 9, 2008
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3Q7D
 | | Structure of (R)-naproxen bound to mCOX-2. | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | | Deposit date: | 2011-01-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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2RHX
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4K80
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4IWC
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative | | Descriptor: | 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2013-01-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha
Nat.Chem.Biol., 9, 2013
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2RO5
 | | RDC-refined solution structure of the N-terminal DNA recognition domain of the Bacillus subtilis transition-state regulator SpoVT | | Descriptor: | Stage V sporulation protein T | | Authors: | Sullivan, D.M, Bobay, B.G, Kojetin, D.J, Thompson, R.J, Rance, M, Strauch, M.A, Cavanagh, J. | | Deposit date: | 2008-03-08 | | Release date: | 2008-11-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Insights into the nature of DNA binding of AbrB-like transcription factors
Structure, 16, 2008
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