9FYF
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-07-03 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818 To Be Published
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9EZG
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-12 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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2AA7
| Mineralocorticoid Receptor with Bound Deoxycorticosterone | Descriptor: | DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-13 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AA6
| Mineralocorticoid Receptor S810L Mutant with Bound Progesterone | Descriptor: | Mineralocorticoid receptor, PROGESTERONE | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-13 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AB2
| Mineralocorticoid Receptor Double Mutant with Bound Spironolactone | Descriptor: | Mineralocorticoid receptor, SPIRONOLACTONE, SULFATE ION | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-14 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2AA2
| Mineralocorticoid Receptor with Bound Aldosterone | Descriptor: | ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-13 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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3GWX
| MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-04-26 | Release date: | 2000-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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6ZJF
| Crystal structure of STK17B (DRAK2) in complex with AP-229 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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5IKW
| Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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5I3O
| Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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5I3R
| Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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1R5K
| Human Estrogen Receptor alpha Ligand-Binding Domain In Complex With GW5638 | Descriptor: | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID, Estrogen receptor | Authors: | Wu, Y.-L, Yang, X, Ren, Z, McDonnell, D.P, Norris, J.D, Willson, T.M, Greene, G.L. | Deposit date: | 2003-10-10 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for an unexpected mode of SERM-mediated ER antagonism. Mol.Cell, 18, 2005
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8P07
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-09 | Release date: | 2023-05-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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2AFJ
| SPRY domain-containing SOCS box protein 2 (SSB-2) | Descriptor: | gene rich cluster, C9 gene | Authors: | Masters, S.L, Yao, S, Willson, T.A, Zhang, J.G, Palmer, K.R, Smith, B.J, Babon, J.J, Nicola, N.A, Norton, R.S, Nicholson, S.E. | Deposit date: | 2005-07-26 | Release date: | 2006-01-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The SPRY domain of SSB-2 adopts a novel fold that presents conserved Par-4-binding residues Nat.Struct.Mol.Biol., 13, 2006
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8P06
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Descriptor: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-09 | Release date: | 2023-06-21 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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7RKE
| Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide | Descriptor: | 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | Deposit date: | 2021-07-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core. Acs Med.Chem.Lett., 13, 2022
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7RNM
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide | Descriptor: | 2-(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-isoindol-5-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W. | Deposit date: | 2021-07-29 | Release date: | 2022-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines Helv.Chim.Acta, 106, 2023
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1K74
| The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides. | Descriptor: | (9cis)-retinoic acid, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor gamma, ... | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | Deposit date: | 2001-10-18 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc.Natl.Acad.Sci.USA, 98, 2001
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1K7L
| The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide. | Descriptor: | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor alpha, YTTRIUM (III) ION, ... | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | Deposit date: | 2001-10-19 | Release date: | 2001-12-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc.Natl.Acad.Sci.USA, 98, 2001
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1M2Z
| Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif | Descriptor: | DEXAMETHASONE, glucocorticoid receptor, nuclear receptor coactivator 2, ... | Authors: | Bledsoe, R.B, Montana, V.G, Stanley, T.B, Delves, C.J, Apolito, C.J, Mckee, D.D, Consler, T.G, Parks, D.J, Stewart, E.L, Willson, T.M, Lambert, M.H, Moore, J.T, Pearce, K.H, Xu, H.E. | Deposit date: | 2002-06-26 | Release date: | 2003-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition Cell(Cambridge,Mass.), 110, 2002
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1LV2
| Hepatocyte Nuclear Factor 4 is a Transcription Factor that Constitutively Binds Fatty Acids | Descriptor: | Hepatocyte nuclear factor 4-gamma, PALMITIC ACID | Authors: | Wisely, B, Miller, A.B, Davis, R.G, Spitzer, T, Shearer, B, Moore, J.T, Johnson, R, Sefler, A, Willson, T.M, Williams, S.P. | Deposit date: | 2002-05-24 | Release date: | 2002-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hepatocyte Nuclear Factor 4 Is a Transcription Factor
that Constitutively Binds Fatty Acids. Structure, 10, 2002
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8QWZ
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid | Descriptor: | 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-20 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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8QWY
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | Descriptor: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-20 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid To Be Published
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3FAL
| humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186 | Descriptor: | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L. | Deposit date: | 2008-11-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity. J.Med.Chem., 51, 2008
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1FM6
| THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES. | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | Authors: | Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Miller, A.B, Bledsoe, R.K, Milburn, M.V, Kliewer, S.A, Willson, T.M, Xu, H.E. | Deposit date: | 2000-08-16 | Release date: | 2001-02-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors. Mol.Cell, 5, 2000
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