6GOG
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![BU of 6gog by Molmil](/molmil-images/mine/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
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6GOF
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![BU of 6gof by Molmil](/molmil-images/mine/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
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6GQW
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![BU of 6gqw by Molmil](/molmil-images/mine/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
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6GQY
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![BU of 6gqy by Molmil](/molmil-images/mine/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
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6GQT
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![BU of 6gqt by Molmil](/molmil-images/mine/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
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3OHU
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![BU of 3ohu by Molmil](/molmil-images/mine/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
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3OHV
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![BU of 3ohv by Molmil](/molmil-images/mine/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
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3E4U
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![BU of 3e4u by Molmil](/molmil-images/mine/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
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3GA1
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![BU of 3ga1 by Molmil](/molmil-images/mine/3ga1) | |
5OYM
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![BU of 5oym by Molmil](/molmil-images/mine/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
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5A4I
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![BU of 5a4i by Molmil](/molmil-images/mine/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
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4HS2
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![BU of 4hs2 by Molmil](/molmil-images/mine/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
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5ADU
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![BU of 5adu by Molmil](/molmil-images/mine/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
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5A4F
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![BU of 5a4f by Molmil](/molmil-images/mine/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
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5A4M
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![BU of 5a4m by Molmil](/molmil-images/mine/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
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2PFJ
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![BU of 2pfj by Molmil](/molmil-images/mine/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
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2Q81
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![BU of 2q81 by Molmil](/molmil-images/mine/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
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2WKJ
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![BU of 2wkj by Molmil](/molmil-images/mine/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
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4CRI
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![BU of 4cri by Molmil](/molmil-images/mine/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
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8S99
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![BU of 8s99 by Molmil](/molmil-images/mine/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
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8S9A
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![BU of 8s9a by Molmil](/molmil-images/mine/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
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/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
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7UYU
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![BU of 7uyu by Molmil](/molmil-images/mine/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
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7UYR
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![BU of 7uyr by Molmil](/molmil-images/mine/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
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7UYW
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![BU of 7uyw by Molmil](/molmil-images/mine/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
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