7S76
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![BU of 7s76 by Molmil](/molmil-images/mine/7s76) | HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein | Authors: | Olland, A.M, Suto, R.K. | Deposit date: | 2021-09-15 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly. Rsc Med Chem, 13, 2022
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6N6R
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![BU of 6n6r by Molmil](/molmil-images/mine/6n6r) | |
6N6S
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![BU of 6n6s by Molmil](/molmil-images/mine/6n6s) | Crystal structure of ABIN-1 UBAN | Descriptor: | TNFAIP3-interacting protein 1 | Authors: | Rahighi, S, Dikic, I, Wakatsuki, S. | Deposit date: | 2018-11-27 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular Recognition of M1-Linked Ubiquitin Chains by Native and Phosphorylated UBAN Domains. J.Mol.Biol., 431, 2019
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6N5M
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![BU of 6n5m by Molmil](/molmil-images/mine/6n5m) | |
6VQN
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![BU of 6vqn by Molmil](/molmil-images/mine/6vqn) | Co-crystal structure of human PD-L1 complexed with Compound A | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | Deposit date: | 2020-02-05 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021
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8AQN
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![BU of 8aqn by Molmil](/molmil-images/mine/8aqn) | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | Descriptor: | 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, CALCIUM ION, GLYCEROL, ... | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8AQM
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![BU of 8aqm by Molmil](/molmil-images/mine/8aqm) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | Descriptor: | 2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Friberg, A, Orsi, D.L, Pook, E, Braeuer, N, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-08-12 | Release date: | 2022-11-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65, 2022
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8ENT
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![BU of 8ent by Molmil](/molmil-images/mine/8ent) | Interleukin-21 signaling complex with IL-21R and IL-2Rg | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Abhiraman, G.C, Jude, K.M, Garcia, K.C. | Deposit date: | 2022-09-30 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | A structural blueprint for interleukin-21 signal modulation. Cell Rep, 42, 2023
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8GBU
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![BU of 8gbu by Molmil](/molmil-images/mine/8gbu) | Hepatitis B capsid Y132A mutant with compound AB-506 | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | Authors: | Horanyi, P.S, Mayclin, S.J. | Deposit date: | 2023-02-28 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorg.Med.Chem.Lett., 94, 2023
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5T8N
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![BU of 5t8n by Molmil](/molmil-images/mine/5t8n) | |
5T8L
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![BU of 5t8l by Molmil](/molmil-images/mine/5t8l) | |
7X6L
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![BU of 7x6l by Molmil](/molmil-images/mine/7x6l) | |
7X6O
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![BU of 7x6o by Molmil](/molmil-images/mine/7x6o) | |
4L13
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![BU of 4l13 by Molmil](/molmil-images/mine/4l13) | |
4L1I
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![BU of 4l1i by Molmil](/molmil-images/mine/4l1i) | |
4L12
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![BU of 4l12 by Molmil](/molmil-images/mine/4l12) | |