8W0E
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8W0F
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8W0G
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8W0I
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8W0R
| Human EBP complexed with compound 1 | Descriptor: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Sun, D, Masureel, M. | Deposit date: | 2024-02-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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8W0S
| Human EBP complexed with compound 3a | Descriptor: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Sun, D, Masureel, M. | Deposit date: | 2024-02-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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8W13
| Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... | Authors: | Chen, C, Dou, Y, Wang, M, Xu, C, Buesking, A. | Deposit date: | 2024-02-15 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification of triazolyl KAT6 inhibitors via a templated fragment approach. Bioorg.Med.Chem.Lett., 113, 2024
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8W18
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8W1H
| Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PYN3 inhibitor | Descriptor: | (6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | Authors: | Geeraerts, Z, Yeh, S.-R. | Deposit date: | 2024-02-15 | Release date: | 2024-08-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase. J.Med.Chem., 67, 2024
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8W1L
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8W1P
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8W1V
| The beta2 adrenergic receptor bound to a bitopic ligand | Descriptor: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | Authors: | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | Deposit date: | 2024-02-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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8W2F
| Plasmodium falciparum 20S proteasome bound to an inhibitor | Descriptor: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria. Cell Chem Biol, 31, 2024
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8W2K
| Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PAN3F inhibitor | Descriptor: | (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | Authors: | Geeraerts, Z, Yeh, S.-R. | Deposit date: | 2024-02-20 | Release date: | 2024-08-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Insights into Protein-Inhibitor Interactions in Human Tryptophan Dioxygenase. J.Med.Chem., 67, 2024
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8W31
| Crystal structure of parkin (R0RB):2pUb with activator compound | Descriptor: | (S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | Sauve, V, Gehring, K. | Deposit date: | 2024-02-21 | Release date: | 2024-08-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Activation of parkin by a molecular glue. Nat Commun, 15, 2024
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8W3A
| Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-02-22 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme d formation in a Shewanella benthica hemoglobin. J.Inorg.Biochem., 259, 2024
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8W3W
| Crystal structure of IRAK4 in complex with compound 4 | Descriptor: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Knafels, J.D. | Deposit date: | 2024-02-22 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
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8W3X
| Crystal structure of IRAK4 in complex with compound 6 | Descriptor: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Knafels, J.D. | Deposit date: | 2024-02-22 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
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8W6Z
| Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins | Descriptor: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fang, C, Zhang, L, Zhu, Y, Zhang, C. | Deposit date: | 2023-08-30 | Release date: | 2024-06-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins To Be Published
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8W7S
| Yeast replisome in state IV | Descriptor: | Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ... | Authors: | Dang, S, Zhai, Y, Feng, J, Yu, D. | Deposit date: | 2023-08-31 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (7.39 Å) | Cite: | Synergism between CMG helicase and leading strand DNA polymerase at replication fork. Nat Commun, 14, 2023
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8W8M
| Cryo-EM structure of helical filament of MyD88 TIR | Descriptor: | Myeloid differentiation primary response protein MyD88 | Authors: | Kasai, K, Imamura, K, Narita, A, Makino, F, Miyata, T, Kato, T, Namba, K, Onishi, H, Tochio, H. | Deposit date: | 2023-09-04 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Signaling adopter protein in a self-assembled form To Be Published
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8W9Z
| The cryo-EM structure of the Nicotiana tabacum PEP-PAP | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta'', ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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8WA0
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8WA1
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8WA2
| cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N. | Deposit date: | 2023-09-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure-guided discovery of protein and glycan components in native mastigonemes. Cell, 187, 2024
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