5TM2
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | 2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, 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 (2.603 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
|
|
5TMS
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Cyclofenil-ASC derivative, ethyl (E)-3-(4-(bicyclo[3.3.1]nonan-9-ylidene(4-hydroxyphenyl)methyl)phenyl)acrylate | | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, ethyl 3-(4-{[(1s,5s)-bicyclo[3.3.1]nonan-9-ylidene](4-hydroxyphenyl)methyl}phenyl)prop-2-enoate | | 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 (2.24 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
|
|
1KQH
 | | NMR Solution Structure of the cis Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-05 | | Release date: | 2002-02-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
|
|
1KQI
 | | NMR Solution Structure of the trans Pro30 Isomer of ACTX-Hi:OB4219 | | Descriptor: | ACTX-Hi:OB4219 | | Authors: | Rosengren, K.J, Wilson, D, Daly, N.L, Alewood, P.F, Craik, D.J. | | Deposit date: | 2002-01-06 | | Release date: | 2002-02-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the cis- and trans-Pro30 isomers of a novel 38-residue toxin
from the venom of Hadronyche Infensa sp. that contains a cystine-knot motif within
its four disulfide bonds
Biochemistry, 41, 2002
|
|
6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | Descriptor: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
|
|
6VY1
 | | Cryo-EM structure of filamentous PFD from Methanocaldococcus jannaschii | | Descriptor: | Prefoldin subunit alpha 2 | | Authors: | Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H. | | Deposit date: | 2020-02-25 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structural Determination of a Filamentous Chaperone to Fabricate Electronically Conductive Metalloprotein Nanowires.
Acs Nano, 14, 2020
|
|
3MJX
 | | Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin | | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, ADP METAVANADATE, MAGNESIUM ION, ... | | Authors: | Fedorov, R, Baruch, P, Bauer, S, Manstein, D.J. | | Deposit date: | 2010-04-13 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of pentabromopseudilin inhibition of myosin motor activity.
Nat.Struct.Mol.Biol., 16, 2009
|
|
5TEH
 | | c-Src V281C kinase domain in complex with Rao-IV-156 | | Descriptor: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
|
|
6VN6
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
|
|
5TM5
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | | Descriptor: | 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, 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 (2.24 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
|
|
4CFW
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
|
|
5TMQ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate | | Descriptor: | 4-bromophenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-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 (2.24 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
|
|
6VRB
 | | Cryo-EM structure of AcrVIA1-Cas13(crRNA) complex | | Descriptor: | AcrVIA1, CRISPR-associated endoribonuclease Cas13a, RNA (52-MER) | | Authors: | Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J. | | Deposit date: | 2020-02-07 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
|
|
5C7Z
 | |
5TLX
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 3,4-bis(4-hydroxyphenyl)thiophene 1,1-dioxide | | Descriptor: | 3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione, 3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine, Estrogen receptor, ... | | 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 (2.103 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
|
|
5TM6
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 6-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)hexanoic acid | | Descriptor: | 6-{4-[(1S,4S,6R)-6-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}hexanoic 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: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.542 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
|
|
5TMT
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((1,3-dihydro-2H-inden-2-ylidene)methylene)diphenol | | Descriptor: | 4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol, 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 (2.051 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
|
|
5TN6
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Spiro BC-estradiol, (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-diol | | Descriptor: | (1S,1'S,3a'S,7a'S)-7a'-methyl-1',2,2',3,3',3a',4',6',7',7a'-decahydro-1,5'-spirobi[indene]-1',5-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: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.091 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
|
|
1CLO
 | |
1NB4
 | |
5TPX
 | | Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound | | Descriptor: | (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ... | | Authors: | Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5C3F
 | | Crystal structure of Mcl-1 bound to BID-MM | | Descriptor: | BID-MM, GLYCEROL, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Miles, J.A, Yeo, D.J, Rowell, P, Rodriguez-Marin, S, Pask, C.M, Warriner, S.L, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2015-06-17 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity.
Chem Sci, 7, 2016
|
|
1O79
 | | Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-10-27 | | Release date: | 2003-10-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
|
|
3MYP
 | | Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus | | Descriptor: | Tagatose 1,6-diphosphate aldolase | | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W. | | Deposit date: | 2010-05-10 | | Release date: | 2011-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation
Febs Lett., 585, 2011
|
|
3LML
 | | Crystal Structure of the sheath tail protein Lin1278 from Listeria innocua, Northeast Structural Genomics Consortium Target LkR115 | | Descriptor: | Lin1278 protein | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-31 | | Release date: | 2010-03-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Northeast Structural Genomics Consortium Target LkR115
To be Published
|
|
