5JTD
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8UPI
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![BU of 8upi by Molmil](/molmil-images/mine/8upi) | Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine | Descriptor: | 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ... | Authors: | Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J. | Deposit date: | 2023-10-22 | Release date: | 2023-11-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides. Biochemistry, 63, 2024
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5M4T
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8I4S
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![BU of 8i4s by Molmil](/molmil-images/mine/8i4s) | the complex structure of SARS-CoV-2 Mpro with D8 | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | Authors: | Lu, M. | Deposit date: | 2023-01-21 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ). Eur.J.Med.Chem., 257, 2023
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5LCB
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![BU of 5lcb by Molmil](/molmil-images/mine/5lcb) | In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | Authors: | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | Deposit date: | 2016-06-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | Cite: | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum. Nat Commun, 7, 2016
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5B8D
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![BU of 5b8d by Molmil](/molmil-images/mine/5b8d) | Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | FORMIC ACID, Histone deacetylase 6, SODIUM ION, ... | Authors: | Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-14 | Release date: | 2016-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin. J. Med. Chem., 60, 2017
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7SET
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![BU of 7set by Molmil](/molmil-images/mine/7set) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-01 | Release date: | 2022-10-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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6LM1
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![BU of 6lm1 by Molmil](/molmil-images/mine/6lm1) | The crystal structure of cyanorhodopsin (CyR) N4075R from cyanobacteria Tolypothrix sp. NIES-4075 | Descriptor: | DECANE, DODECANE, HEXADECANE, ... | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2019-12-24 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage. Sci Rep, 10, 2020
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8UH4
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6M5D
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![BU of 6m5d by Molmil](/molmil-images/mine/6m5d) | Human serum albumin (apo form) | Descriptor: | PHOSPHATE ION, Serum albumin | Authors: | Ito, S, Senoo, A, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Wakui, N. | Deposit date: | 2020-03-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J.Med.Chem., 63, 2020
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1BGO
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![BU of 1bgo by Molmil](/molmil-images/mine/1bgo) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR | Descriptor: | 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K | Authors: | Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F. | Deposit date: | 1998-05-29 | Release date: | 1999-06-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K J.Am.Chem.Soc., 120, 1998
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5M6U
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![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | Deposit date: | 2016-10-26 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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8CB5
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8CB4
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8CBG
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8CBI
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8CB8
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8CB7
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2EI1
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![BU of 2ei1 by Molmil](/molmil-images/mine/2ei1) | Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygeanse of Pseudomonas sp. strain C18 complexes to 1,2-dihydroxynaphthalene | Descriptor: | 1,2-dihydroxynaphthalene dioxygenase, FE (II) ION, GLYCEROL, ... | Authors: | Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T. | Deposit date: | 2007-03-10 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites. To be Published
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6S48
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![BU of 6s48 by Molmil](/molmil-images/mine/6s48) | AvaII RESTRICTION ENDONUCLEASE IN COMPLEX WITH PARTIALLY CLEAVED dsDNA | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, DNA (5'-D(*GP*AP*TP*G)-3'), ... | Authors: | Kisiala, M, Kowalska, M, Korza, H, Czapinska, H, Bochtler, M. | Deposit date: | 2019-06-26 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation. Nucleic Acids Res., 48, 2020
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6UVS
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6RFU
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![BU of 6rfu by Molmil](/molmil-images/mine/6rfu) | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors. Nat Commun, 11, 2020
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6V1Z
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![BU of 6v1z by Molmil](/molmil-images/mine/6v1z) | genome-containing AAVrh.39 particles | Descriptor: | Capsid protein VP1, DNA (5'-D(*CP*A)-3') | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-21 | Release date: | 2019-12-11 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
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6B5M
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7PQ8
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![BU of 7pq8 by Molmil](/molmil-images/mine/7pq8) | Crystal structure of Campylobacter jejuni DsbA1 | Descriptor: | TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K. | Deposit date: | 2021-09-16 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.329 Å) | Cite: | Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. Int J Mol Sci, 22, 2021
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