7ZZR
| HDAC2 in complex with inhibitory ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZW
| Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZS
| HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7N4T
| Low conductance mechanosensitive channel YnaI | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI | Authors: | Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y. | Deposit date: | 2021-06-04 | Release date: | 2022-04-20 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM Structure of Mechanosensitive Channel YnaI Using SMA2000: Challenges and Opportunities. Membranes (Basel), 11, 2021
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8A0B
| Inhibitor binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-27 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZU
| Inhibitory Ligand binding to HDAC2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZPG
| CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | Descriptor: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | Authors: | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | Deposit date: | 2022-04-27 | Release date: | 2022-09-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature. Plos One, 17, 2022
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7ZTS
| Saccharomyces cerevisiae L-BC virus, open particle, asymmetric reconstruction | Descriptor: | Major capsid protein | Authors: | Grybchuk, D, Prochazkova, M, Fuzik, T, Konovalovas, A, Serva, S, Yurchenko, V, Plevka, P. | Deposit date: | 2022-05-11 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Structures of L-BC virus and its open particle provide insight into Totivirus capsid assembly. Commun Biol, 5, 2022
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7ZWH
| VWF Tubules of D1D2 and D'D3A1 domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Javitt, G, Fass, D. | Deposit date: | 2022-05-19 | Release date: | 2022-07-13 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Assembly of von Willebrand factor tubules with in vivo helical parameters requires A1 domain insertion. Blood, 140, 2022
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7MW8
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7N1S
| Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase | Descriptor: | Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Fernandez, D, Li, L, Brown, J.A, Carozza, J.A. | Deposit date: | 2021-05-28 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling. Proc.Natl.Acad.Sci.USA, 119, 2022
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7N8U
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7Z1K
| Crystal structure of the SPOC domain of human SHARP (SPEN) in complex with RNA polymerase II CTD heptapeptide phosphorylated on Ser5 | Descriptor: | Msx2-interacting protein, SER-TYR-SER-PRO-THR-SEP | Authors: | Appel, L, Grishkovskaya, I, Slade, D, Djinovic-Carugo, K. | Deposit date: | 2022-02-24 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The SPOC domain is a phosphoserine binding module that bridges transcription machinery with co- and post-transcriptional regulators. Nat Commun, 14, 2023
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4FAO
| Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 2, ... | Authors: | Townson, S.A, Martinez-Hackert, E, Greppi, C, Lowden, P, Sako, D, Liu, J, Ucran, J.A, Liharska, K, Underwood, K.W, Seehra, J, Kumar, R, Grinberg, A.V. | Deposit date: | 2012-05-22 | Release date: | 2012-06-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.357 Å) | Cite: | Specificity and Structure of a High Affinity Activin Receptor-like Kinase 1 (ALK1) Signaling Complex. J.Biol.Chem., 287, 2012
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7Z27
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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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4FE6
| Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease | Authors: | Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. | Deposit date: | 2012-05-29 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enamino-oxindole HIV protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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7YL3
| Structure of hIAPP-TF-type1 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X, Wang, Y, Zhu, P. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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7YL0
| Structure of hIAPP-TF-type2 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X, Wang, Y, Zhu, P. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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7YL7
| Structure of hIAPP-TF-type3 | Descriptor: | Islet amyloid polypeptide | Authors: | Li, D, Zhang, X. | Deposit date: | 2022-07-25 | Release date: | 2022-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | A new polymorphism of human amylin fibrils with similar protofilaments and a conserved core. Iscience, 25, 2022
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7YM0
| Lysoplasmalogen-specific phospholipase D (LyPls-PLD) with Ca2+ | Descriptor: | CALCIUM ION, Lysoplasmalogenase | Authors: | Yasutake, Y, Sakasegawa, S, Sugimori, D, Murayama, K. | Deposit date: | 2022-07-27 | Release date: | 2023-01-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YKW
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7YYO
| Cryo-EM structure of an a-carboxysome RuBisCO enzyme at 2.9 A resolution | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ... | Authors: | Mann, D, Evans, S.L, Bergeron, J.R.C. | Deposit date: | 2022-02-18 | Release date: | 2023-01-25 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome. Structure, 31, 2023
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3RL0
| Truncated SNARE complex with complexin (P1) | Descriptor: | Complexin-1, Synaptosomal-associated protein 25, Syntaxin-1A, ... | Authors: | Kuemmel, D, Reinisch, K.M. | Deposit date: | 2011-04-19 | Release date: | 2011-07-27 | Last modified: | 2011-08-24 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Complexin cross-links prefusion SNAREs into a zigzag array. Nat.Struct.Mol.Biol., 18, 2011
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3R3D
| Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | Deposit date: | 2011-03-15 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU. Biochemistry, 51, 2012
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