3TNI
 
 | | structure of CDK9/cyclin T F241L | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2012-05-30 | | Method: | X-RAY DIFFRACTION (3.234 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
|
|
5TMZ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | | Descriptor: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.207 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
5TN7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | | Descriptor: | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.238 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
2CE0
 | | Structure of oxidized Arabidopsis thaliana cytochrome 6A | | Descriptor: | CYTOCHROME C6, HEME C | | Authors: | Marcaida, M.J, Schlarb-Ridley, B.G, Worrall, J.A.R, Wastl, J, Evans, T.J, Bendall, D.S, Luisi, B.F, Howe, C.J. | | Deposit date: | 2006-02-01 | | Release date: | 2006-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structure of Cytochrome C(6A), a Novel Dithio-Cytochrome of Arabidopsis Thaliana, and its Reactivity with Plastocyanin: Implications for Function.
J.Mol.Biol., 360, 2006
|
|
3TNH
 | | CDK9/cyclin T in complex with CAN508 | | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9 | | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | | Deposit date: | 2011-09-01 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
|
|
3TVW
 | | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4 | | Descriptor: | Acetyl-CoA carboxylase, [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone | | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | | Deposit date: | 2011-09-20 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
|
|
1OTY
 | | Native PNP +ALLO | | Descriptor: | 6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase | | Authors: | Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J. | | Deposit date: | 2003-03-23 | | Release date: | 2004-02-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
|
|
3RW9
 | | Crystal Structure of human Spermidine Synthase in Complex with decarboxylated S-adenosylhomocysteine | | Descriptor: | 5'-S-(3-aminopropyl)-5'-thioadenosine, Spermidine synthase | | Authors: | Seckute, J, McCloskey, D.E, Thomas, H.J, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2011-05-08 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding and inhibition of human spermidine synthase by decarboxylated S-adenosylhomocysteine.
Protein Sci., 20, 2011
|
|
5TLU
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine | | Descriptor: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
5TM3
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
5TML
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Descriptor: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
5TMV
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Descriptor: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
5TN5
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
|
|
1Q1N
 | | APO AND HOLO STRUCTURES OF AN NADP(H)-DEPENDENT CINNAMYL ALCOHOL DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, ZINC ION | | Authors: | Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A. | | Deposit date: | 2003-07-22 | | Release date: | 2004-08-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 341, 2004
|
|
2CC0
 | | Family 4 carbohydrate esterase from Streptomyces lividans in complex with acetate | | Descriptor: | ACETATE ION, ACETYL-XYLAN ESTERASE, ZINC ION | | Authors: | Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Vincent, F, Brzozowski, A.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Puchart, V, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | | Deposit date: | 2006-01-10 | | Release date: | 2006-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases
J.Biol.Chem., 281, 2006
|
|
1P6P
 | | Crystal Structure of Toad Liver Basic Fatty Acid-Binding Protein | | Descriptor: | Fatty acid-binding protein, liver | | Authors: | Di Pietro, S.M, Corsico, B, Perduca, M, Monaco, H.L, Santome, J.A. | | Deposit date: | 2003-04-30 | | Release date: | 2003-06-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Biochemical Characterization of Toad Liver Basic Fatty Acid-Binding Protein
Biochemistry, 42, 2003
|
|
4MH7
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ... | | Authors: | Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2013-08-29 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
|
|
2CN2
 | | Crystal Structures of Clostridium thermocellum Xyloglucanase | | Descriptor: | BETA-1,4-XYLOGLUCAN HYDROLASE, CADMIUM ION | | Authors: | Martinez-Fleites, C, Taylor, E.J, Guerreiro, C.I, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Baumann, M.J, Brumer, H, Davies, G.J. | | Deposit date: | 2006-05-17 | | Release date: | 2006-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation.
J.Biol.Chem., 281, 2006
|
|
3J40
 | | Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling | | Descriptor: | gp10, gp7 | | Authors: | Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W. | | Deposit date: | 2013-05-30 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
2B6F
 | | Solution structure of human sulfiredoxin (SRX) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Sulfiredoxin | | Authors: | Gruschus, J.M, Lee, D.-Y, Ferretti, J.A, Rhee, S.G. | | Deposit date: | 2005-10-01 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Mutagenesis and Modeling of the Peroxiredoxin (Prx) Complex with the NMR Structure of ATP-Bound Human Sulfiredoxin Implicate Aspartate 187 of Prx I as the Catalytic Residue in ATP Hydrolysis
Biochemistry, 45, 2006
|
|
3GZF
 | | Structure of the C-terminal domain of nsp4 from Feline Coronavirus | | Descriptor: | Replicase polyprotein 1ab, SULFATE ION | | Authors: | Manolaridis, I, Wojdyla, J.A, Panjikar, S, Snijder, E.J, Gorbalenya, A.E, Coutard, B, Tucker, P.A. | | Deposit date: | 2009-04-07 | | Release date: | 2009-08-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.756 Å) | | Cite: | Structure of the C-terminal domain of nsp4 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
|
|
3VHJ
 | |
3H8L
 | | The first X-ray structure of a sulfide:quinone oxidoreductase: insights into sulfide oxidation mechanism | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ... | | Authors: | Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M. | | Deposit date: | 2009-04-29 | | Release date: | 2009-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
|
|
3GLX
 | | Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II) | | Descriptor: | Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION | | Authors: | D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K).
J.Mol.Biol., 390, 2009
|
|
3VCC
 | | CRYSTAL STRUCTURE OF D-Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg | | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | | Authors: | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2012-01-03 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | CRYSTAL STRUCTURE OF D-Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
To be Published
|
|
