6G8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8p by Molmil](/molmil-images/mine/6g8p) | 14-3-3sigma in complex with a P129beta3P and L132beta3L mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6G8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8j by Molmil](/molmil-images/mine/6g8j) | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6G6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g6x by Molmil](/molmil-images/mine/6g6x) | 14-3-3sigma in complex with a P129beta3P mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, SODIUM ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-03 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6G8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8i by Molmil](/molmil-images/mine/6g8i) | 14-3-3sigma in complex with a R124beta3R mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ALA-HIS-SEP-SER-PRO-ALA-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6G8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8q by Molmil](/molmil-images/mine/6g8q) | 14-3-3sigma in complex with a A130beta3A and Q133beta3Q mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
6G8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8l by Molmil](/molmil-images/mine/6g8l) | 14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
|
|
7NPC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7npc by Molmil](/molmil-images/mine/7npc) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
|
|
7NP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7np5 by Molmil](/molmil-images/mine/7np5) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma | Authors: | Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
|
|
7NEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nec by Molmil](/molmil-images/mine/7nec) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | Authors: | Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-03 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
|
|
7NP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7np6 by Molmil](/molmil-images/mine/7np6) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257 | Descriptor: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | Authors: | Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2021-02-26 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
|
|
6SAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sal by Molmil](/molmil-images/mine/6sal) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26 | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Doveston, R.G, Brunsveld, L. | Deposit date: | 2019-07-17 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists. J.Med.Chem., 63, 2020
|
|
6T4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4j by Molmil](/molmil-images/mine/6t4j) | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand FM26 | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4x by Molmil](/molmil-images/mine/6t4x) | ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand FM26 | Descriptor: | 25-HYDROXYCHOLESTEROL, 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6TLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlq by Molmil](/molmil-images/mine/6tlq) | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand Glenmark | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, CHOLESTEROL, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.761 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4g by Molmil](/molmil-images/mine/6t4g) | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26 | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-14 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6TLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlt by Molmil](/molmil-images/mine/6tlt) | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4t by Molmil](/molmil-images/mine/6t4t) | ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand FM26 | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t50 by Molmil](/molmil-images/mine/6t50) | ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand Glenmark | Descriptor: | 25-HYDROXYCHOLESTEROL, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4i by Molmil](/molmil-images/mine/6t4i) | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871 | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, CHOLESTEROL, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4u by Molmil](/molmil-images/mine/6t4u) | ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand MRL871 | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6TLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlm by Molmil](/molmil-images/mine/6tlm) | ROR(gamma)t ligand binding domain in complex with allosteric ligand compound 13 (Glenmark) | Descriptor: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-12-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.321 Å) | Cite: | Elucidation of an Allosteric Mode of Action for a Thienopyrazole ROR gamma t Inverse Agonist. Chemmedchem, 15, 2020
|
|
6TDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tdc by Molmil](/molmil-images/mine/6tdc) | |
6T4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4k by Molmil](/molmil-images/mine/6t4k) | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand MRL871 | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4w by Molmil](/molmil-images/mine/6t4w) | ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand Glenmark | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6T4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t4y by Molmil](/molmil-images/mine/6t4y) | ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871 | Descriptor: | 25-HYDROXYCHOLESTEROL, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ... | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|