6GOG
 
 | | KRAS-169 Q61H GPPNHP | | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GOF
 | | KRAS full length G12D GPPNHP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GQW
 | | KRAS-169 Q61H GPPNHP + CH-1 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GQY
 | | KRAS-169 Q61H GPPNHP + CH-3 | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GQT
 | | KRAS-169 Q61H GPPNHP + PPIN-2 | | Descriptor: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
3OHU
 | | Crystal structure of the human Bach2 POZ domain, form I | | Descriptor: | Transcription regulator protein BACH2 | | Authors: | Rosbrook, G.O, Stead, M.A, Carr, S.B, Wright, S.C. | | Deposit date: | 2010-08-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of the Bach2 POZ-domain dimer reveals an intersubunit disulfide bond.
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3OHV
 | | Crystal structure of the human Bach2 POZ domain, form II | | Descriptor: | Transcription regulator protein BACH2 | | Authors: | Rosbrook, G.O, Stead, M.A, Carr, S.B, Wright, S.C. | | Deposit date: | 2010-08-18 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the Bach2 POZ-domain dimer reveals an intersubunit disulfide bond.
Acta Crystallogr.,Sect.D, 68, 2012
|
|
3E4U
 | | Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain | | Descriptor: | B-cell lymphoma 6 protein | | Authors: | Stead, M.A, Rosbrook, G.O, Hadden, J.M, Trinh, C.H, Carr, S.B, Wright, S.C. | | Deposit date: | 2008-08-12 | | Release date: | 2008-12-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the wild-type human BCL6 POZ domain.
Acta Crystallogr.,Sect.F, 64, 2008
|
|
3GA1
 | |
5OYM
 | | HIV Integrase Binding Domain of Lens Epithelium-Derived Growth Factor | | Descriptor: | PC4 and SFRS1-interacting protein | | Authors: | Rabbitts, T.H, Phillips, S.E.V, Cruz-Migoni, A, Carr, S.B, Hannon, C. | | Deposit date: | 2017-09-11 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cloning, purification and structure determination of the HIV integrase-binding domain of lens epithelium-derived growth factor.
Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
5A4I
 | | The mechanism of Hydrogen activation by NiFE-hydrogenases | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.C, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-06-10 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
|
|
4HS2
 | | Crystal Structure of the Human SPOP C-terminal Domain | | Descriptor: | Speckle-type POZ protein | | Authors: | Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C. | | Deposit date: | 2012-10-29 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP.
Acta Crystallogr.,Sect.D, 69, 2013
|
|
5ADU
 | | The Mechanism of Hydrogen Activation by NiFe-hydrogenases | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-08-24 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
|
|
5A4F
 | | The mechanism of Hydrogen Activation by NiFe-hydrogenases. | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-06-09 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
|
|
5A4M
 | | Mechanism of Hydrogen activation by NiFe-hydrogenases | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. | | Deposit date: | 2015-06-10 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases.
Nat.Chem.Biol., 12, 2016
|
|
2PFJ
 | | Crystal Structure of T7 Endo I resolvase in complex with a Holliday Junction | | Descriptor: | 27-MER, CALCIUM ION, Endodeoxyribonuclease 1 | | Authors: | Hadden, J.M, Declais, A.C, Carr, S.B, Lilley, D.M, Phillips, S.E. | | Deposit date: | 2007-04-05 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The structural basis of Holliday junction resolution by T7 endonuclease I.
Nature, 449, 2007
|
|
2Q81
 | | Crystal Structure of the Miz-1 BTB/POZ domain | | Descriptor: | Miz-1 protein, TETRAETHYLENE GLYCOL | | Authors: | Stead, M.A, Trinh, C.H, Garnett, J.A, Carr, S.B, Edwards, T.A, Wright, S.C. | | Deposit date: | 2007-06-08 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Beta-Sheet Interaction Interface Directs the Tetramerisation of the Miz-1 POZ Domain
J.Mol.Biol., 373, 2007
|
|
2WKJ
 | | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121 | | Descriptor: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | | Authors: | Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R. | | Deposit date: | 2009-06-11 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009
|
|
4CRI
 | | Crystal Structure of 53BP1 tandem tudor domains in complex with methylated K810 Rb peptide | | Descriptor: | RB1 PROTEIN, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1 | | Authors: | Krojer, T, Johansson, C, Gileadi, C, Fedorov, O, Carr, S, La Thangue, N.B, Vollmar, M, Crawley, L, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U. | | Deposit date: | 2014-02-26 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
8S99
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
|
|
8S9A
 | | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | | Descriptor: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
|
|
8S98
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
|
|
7UYU
 | | Crystal structure of TYK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYR
 | | Crystal structure of TYK2 kinase domain in complex with compound 12 | | Descriptor: | 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
|
|
7UYW
 | | Crystal structure of JAK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
|
|
