3B90
| Crystal Structure of the Catalytic Domain of Pectate Lyase PelI from Erwinia chrysanthemi | Descriptor: | CALCIUM ION, Endo-pectate lyase, SULFATE ION, ... | Authors: | Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P. | Deposit date: | 2007-11-02 | Release date: | 2008-04-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate J.Biol.Chem., 283, 2008
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3B4N
| Crystal Structure Analysis of Pectate Lyase PelI from Erwinia chrysanthemi | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Endo-pectate lyase, ... | Authors: | Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P. | Deposit date: | 2007-10-24 | Release date: | 2008-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate. J.Biol.Chem., 283, 2008
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6GGG
| Mineralocorticoid receptor in complex with (s)-13 | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | Deposit date: | 2018-05-03 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
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7TJB
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7TLV
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7TRR
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8J22
| Cryo-EM structure of FFAR2 complex bound with TUG-1375 | Descriptor: | (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J24
| Cryo-EM structure of FFAR2 complex bound with acetic acid | Descriptor: | ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Tang, W, Sun, X, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J20
| Cryo-EM structure of FFAR3 bound with valeric acid and AR420626 | Descriptor: | (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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8J21
| Cryo-EM structure of FFAR3 complex bound with butyrate acid | Descriptor: | Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Tai, L, Li, F, Sun, X, Tang, W, Wang, J. | Deposit date: | 2023-04-14 | Release date: | 2024-01-24 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3. Cell Res., 34, 2024
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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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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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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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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: | 2024-10-16 | 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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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: | 2024-10-09 | 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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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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4L12
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4L1I
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4L13
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9C9V
| HBV capsid with compound 3i | Descriptor: | Capsid protein, N'-(3-chloro-4-fluorophenyl)-N-(2-methylpropyl)-N-[(1R)-1-(1-oxo-1,2-dihydroisoquinolin-4-yl)ethyl]urea | Authors: | Olland, A.M, Suto, R.K, Fontano, E, Colussi, T. | Deposit date: | 2024-06-16 | Release date: | 2024-09-25 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Rational Design, Synthesis, and Structure-Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836. J.Med.Chem., 67, 2024
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6N6R
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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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5T8L
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5T8N
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