8CD9
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | Deposit date: | 2023-01-30 | Release date: | 2024-02-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. Acs Infect Dis., 10, 2024
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8SS8
| Structure of AMPA receptor GluA2 complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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1L0I
| Crystal structure of butyryl-ACP I62M mutant | Descriptor: | Acyl carrier protein, CACODYLATE ION, SODIUM ION, ... | Authors: | Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B. | Deposit date: | 2002-02-11 | Release date: | 2003-02-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray Crystallographic Studies on Butyryl-ACP Reveal Flexibility of the Structure around a Putative Acyl Chain Binding Site Structure, 10, 2002
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1L0Z
| THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL | Descriptor: | BROMIDE ION, ELASTASE 1, SODIUM ION, ... | Authors: | Tucker, P.A, Panjikar, S. | Deposit date: | 2002-02-14 | Release date: | 2002-08-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Xenon derivatization of halide-soaked protein crystals. Acta Crystallogr.,Sect.D, 58, 2002
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7RSV
| Structure of the VPS34 kinase domain with compound 5 | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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8CIH
| Structure of FL CINP | Descriptor: | Cyclin-dependent kinase 2-interacting protein, SODIUM ION | Authors: | Foglizzo, M, Zeqiraj, E. | Deposit date: | 2023-02-09 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity. Cell, 187, 2024
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8BYK
| The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | Deposit date: | 2022-12-13 | Release date: | 2023-02-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases. Front Microbiol, 13, 2022
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7SI0
| IgE-Fc in complex with 813 | Descriptor: | 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ... | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | Deposit date: | 2021-10-12 | Release date: | 2021-12-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex. Nat Commun, 12, 2021
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7S86
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8SBM
| Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS | Descriptor: | 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ... | Authors: | Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A. | Deposit date: | 2023-04-03 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid. Biochemistry, 62, 2023
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8UBS
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8BXU
| Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ... | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | Deposit date: | 2022-12-09 | Release date: | 2023-03-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies. Int.J.Biol.Macromol., 237, 2023
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7S0U
| PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound | Descriptor: | 1,2-ETHANEDIOL, 4-(aminomethyl)phthalazin-1(2H)-one, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | Deposit date: | 2021-08-31 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers. J.Med.Chem., 65, 2022
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1L9B
| X-Ray Structure of the Cytochrome-c(2)-Photosynthetic Reaction Center Electron Transfer Complex from Rhodobacter sphaeroides in Type II Co-Crystals | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | Authors: | Axelrod, H.L, Abresch, E.C, Okamura, M.Y, Yeh, A.P, Rees, D.C, Feher, G. | Deposit date: | 2002-03-22 | Release date: | 2002-06-12 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure determination of the cytochrome c2: reaction center electron transfer complex from Rhodobacter sphaeroides. J.Mol.Biol., 319, 2002
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1LDS
| Crystal Structure of monomeric human beta-2-microglobulin | Descriptor: | SODIUM ION, beta-2-microglobulin | Authors: | Trinh, C.H, Smith, D.P, Kalverda, A.P, Phillips, S.E.V, Radford, S.E. | Deposit date: | 2002-04-09 | Release date: | 2002-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of monomeric human beta-2-microglobulin reveals clues to its amyloidogenic properties. Proc.Natl.Acad.Sci.USA, 99, 2002
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6CGF
| Crystal structure of HIV-1 Y188L mutant reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-02-20 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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8WFU
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8WFT
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8OT5
| Crystal structure of the titin domain Fn3-85 | Descriptor: | CHLORIDE ION, SODIUM ION, Titin | Authors: | Nikoopour, R, Rees, M, Gautel, M. | Deposit date: | 2023-04-20 | Release date: | 2023-08-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
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8WFW
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8WFV
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8C6O
| Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin, SODIUM ION | Authors: | Natashin, P.V, Burakova, L.P, Kovaleva, M.I, Schevtsov, M.B, Dmitrieva, D.A, Eremeeva, E.V, Markova, S.V, Mishin, A.V, Borshchevskiy, V.I, Vysotski, E.S. | Deposit date: | 2023-01-12 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of Tyr-His-Trp Triad and Water Molecule Near the N1-Atom of 2-Hydroperoxycoelenterazine in Bioluminescence of Hydromedusan Photoproteins: Structural and Mutagenesis Study. Int J Mol Sci, 24, 2023
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7S16
| Crystal structure of alpha-COP-WD40 domain R57A mutant | Descriptor: | Coatomer subunit alpha, SODIUM ION | Authors: | Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking Commun Biol, 5, 2022
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8OTM
| structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | Authors: | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | Deposit date: | 2023-04-21 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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8W42
| X-ray crystal structure of V30M-TTR in complex with resveratrol | Descriptor: | RESVERATROL, SODIUM ION, Transthyretin | Authors: | Yokoyama, T. | Deposit date: | 2023-08-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin. J.Med.Chem., 66, 2023
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