6T50
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![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
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6TLM
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![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
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6T4I
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![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
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6T4U
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![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
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6TDC
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![BU of 6tdc by Molmil](/molmil-images/mine/6tdc) | |
6T4K
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![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
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6T4W
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![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
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6T4Y
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![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
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6TLQ
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![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
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8JOW
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![BU of 8jow by Molmil](/molmil-images/mine/8jow) | |
8P9Q
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![BU of 8p9q by Molmil](/molmil-images/mine/8p9q) | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 | Descriptor: | 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 To Be Published
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8PA8
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![BU of 8pa8 by Molmil](/molmil-images/mine/8pa8) | Crystal structure of the metallo-beta-lactamase VIM1 with 2551 | Descriptor: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2551 To Be Published
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8P9T
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![BU of 8p9t by Molmil](/molmil-images/mine/8p9t) | Crystal structure of the metallo-beta-lactamase VIM1 with 2483 | Descriptor: | 7-[(1~{S})-1-(4-azanylbutanoyloxy)ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2483 To Be Published
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8PAC
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![BU of 8pac by Molmil](/molmil-images/mine/8pac) | Crystal structure of the metallo-beta-lactamase VIM1 with 2553 | Descriptor: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2553 To Be Published
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8PA4
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![BU of 8pa4 by Molmil](/molmil-images/mine/8pa4) | Crystal structure of the metallo-beta-lactamase VIM1 with 2526 | Descriptor: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2526 To Be Published
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8P92
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![BU of 8p92 by Molmil](/molmil-images/mine/8p92) | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 | Descriptor: | 3-[(1~{S})-1-phenylethoxy]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2117 To Be Published
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8PAD
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![BU of 8pad by Molmil](/molmil-images/mine/8pad) | Crystal structure of the metallo-beta-lactamase VIM1 with 2555 | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2555 To Be Published
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8P93
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![BU of 8p93 by Molmil](/molmil-images/mine/8p93) | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | Descriptor: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 To Be Published
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8PA5
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![BU of 8pa5 by Molmil](/molmil-images/mine/8pa5) | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 | Descriptor: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2540 To Be Published
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8PAO
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![BU of 8pao by Molmil](/molmil-images/mine/8pao) | Crystal structure of the metallo-beta-lactamase VIM1 with 2654 | Descriptor: | 7-[(1~{S})-1-[4-[(2-azanylethylsulfonylamino)methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2654 To Be Published
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8PB2
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![BU of 8pb2 by Molmil](/molmil-images/mine/8pb2) | Crystal structure of the metallo-beta-lactamase VIM1 with 2697 | Descriptor: | 7-[(1~{S})-1-[4-(carbamimidamidomethyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2697 To Be Published
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8P8Z
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![BU of 8p8z by Molmil](/molmil-images/mine/8p8z) | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 | Descriptor: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-04 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 To Be Published
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8P9P
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![BU of 8p9p by Molmil](/molmil-images/mine/8p9p) | Crystal structure of the metallo-beta-lactamase VIM1 with 2408 | Descriptor: | 3-(2-ethoxy-5-fluoranyl-pyridin-3-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2408 To Be Published
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8PAN
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![BU of 8pan by Molmil](/molmil-images/mine/8pan) | Crystal structure of the metallo-beta-lactamase VIM1 with 2653 | Descriptor: | 7-[(1~{S})-1-[4-(aminomethyl)phenoxy]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2653 To Be Published
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8P9S
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![BU of 8p9s by Molmil](/molmil-images/mine/8p9s) | Crystal structure of the metallo-beta-lactamase VIM1 with 2482 | Descriptor: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2482 To Be Published
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