7MYJ
 
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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7MYR
 | | BACE-1 in complex with compound #18 | | Descriptor: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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7MYU
 | | BACE-1 in complex with compound #22 | | Descriptor: | Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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7MYI
 | | BACE-1 in complex with compound #6 | | Descriptor: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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7EVM
 | | Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex | | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | | Deposit date: | 2021-05-21 | | Release date: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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7EVO
 | | The cryo-EM structure of the human 17S U2 snRNP | | Descriptor: | HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, RNA helicase, ... | | Authors: | Zhang, X, Zhan, X, Shi, Y. | | Deposit date: | 2021-05-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into branch site proofreading by human spliceosome.
Nat.Struct.Mol.Biol., 2024
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7OLY
 | | Structure of activin A in complex with an ActRIIB-Alk4 fusion reveal insight into activin receptor interactions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-1B, ... | | Authors: | Hakansson, M, Rose, N.C, Castonguay, R, Logan, D.T, Krishnan, L. | | Deposit date: | 2021-05-20 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.265 Å) | | Cite: | Structures of activin ligand traps using natural sets of type I and type II TGF beta receptors.
Iscience, 25, 2022
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7MXJ
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7MXK
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7OLD
 | | Thermophilic eukaryotic 80S ribosome at pe/E (TI)-POST state | | Descriptor: | 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... | | Authors: | Kisonaite, M, Wild, K, Sinning, I. | | Deposit date: | 2021-05-19 | | Release date: | 2022-01-26 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation.
Nat Commun, 13, 2022
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7OLC
 | | Thermophilic eukaryotic 80S ribosome at idle POST state | | Descriptor: | 18S rRNA, 26S rRNA, 40S ribosomal protein S0, ... | | Authors: | Kisonaite, M, Wild, K, Sinning, I. | | Deposit date: | 2021-05-19 | | Release date: | 2022-01-26 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation.
Nat Commun, 13, 2022
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7OL7
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7OL8
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7OL6
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7OL5
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7OL2
 | | Crystal structure of mouse contactin 1 immunoglobulin domains | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, ... | | Authors: | Chataigner, L.M.P, Janssen, B.J.C. | | Deposit date: | 2021-05-19 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.89 Å) | | Cite: | Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
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7OL4
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7EV1
 | | Crystal structure of LI-Cadherin EC1-2 | | Descriptor: | ACETATE ION, CALCIUM ION, Cadherin-17, ... | | Authors: | Caaveiro, J.M.M, Yui, A, Tsumoto, K. | | Deposit date: | 2021-05-19 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
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7EUW
 | | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA174) | | Descriptor: | 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid, Fatty acid-binding protein, heart, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-05-19 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA176)
To Be Published
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7EUV
 | | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing Flurbiprofen | | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, Fatty acid-binding protein, heart | | Authors: | Sugiyama, S, Kakinouchi, K, Hoshina, M, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-05-19 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with Flurbiprofen
To Be Published
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7MXB
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7MX3
 | | Crystal structure of human RIPK3 complexed with GSK'843 | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3 | | Authors: | Davies, K.A, Czabotar, P.E. | | Deposit date: | 2021-05-18 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
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7EUO
 | | The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF | | Descriptor: | CHOLESTEROL, 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: | Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q. | | Deposit date: | 2021-05-18 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
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7MWG
 | | 16-nm repeat microtubule doublet | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Rao, Q, Zhang, K. | | Deposit date: | 2021-05-17 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
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7OK7
 | | Crystal structure of the UNC119B ARL3 complex | | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosylation factor-like protein 3, GLYCEROL, ... | | Authors: | Yelland, T, Ismail, S. | | Deposit date: | 2021-05-17 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The Structural and Biochemical Characterization of UNC119B Cargo Binding and Release Mechanisms.
Biochemistry, 60, 2021
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