6F39
 
 | | C1r homodimer CUB1-EGF-CUB2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | Deposit date: | 2017-11-28 | | Release date: | 2018-01-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (5.801 Å) | | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5CG9
 | | NgTET1 in complex with 5mC DNA in space group P3221 | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DNA (5'-D(*TP*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X. | | Deposit date: | 2015-07-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA.
Nucleic Acids Res., 43, 2015
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7SWD
 | | Structure of EBOV GP lacking the mucin-like domain with 1C11 scFv and 1C3 Fab bound | | Descriptor: | 1C11 scFv, 1C3 heavy chain, 1C3 light chain, ... | | Authors: | Milligan, J.C, Yu, X, Saphire, E.O. | | Deposit date: | 2021-11-19 | | Release date: | 2022-04-06 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses.
Cell, 185, 2022
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6F8U
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-20b | | Descriptor: | 2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ZINC ION, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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8CHB
 | | Inward-facing conformation of the ABC transporter BmrA C436S/A582C cross-linked mutant | | Descriptor: | Multidrug resistance ABC transporter ATP-binding/permease protein BmrA | | Authors: | Di Cesare, M, Kaplan, E, Hanssen, E, Valimehr, S, Orelle, C, Jault, J.M. | | Deposit date: | 2023-02-07 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The transport activity of the multidrug ABC transporter BmrA does not require a wide separation of the nucleotide-binding domains.
J.Biol.Chem., 300, 2023
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6YBJ
 | | Structure of MBP-Mcl-1 in complex with compound 3e | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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6YD9
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6XZP
 | | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 4 | | Descriptor: | LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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5JQR
 | | The Structure of Ascorbate Peroxidase Compound II formed by reaction with m-CPBA | | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kwon, H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2016-05-05 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme.
Nat Commun, 7, 2016
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5MQT
 | | Crystal structure of dCK mutant C3S in complex with imatinib and UDP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ... | | Authors: | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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7Q89
 | | OleP mutant G92W in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-10 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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7Q6X
 | | OleP mutant S240Y in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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7Q6R
 | | OleP mutant E89Y in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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6F6S
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-06 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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6MVM
 | | LasR LBD L130F:3OC14HSL complex | | Descriptor: | 3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide, Transcriptional regulator LasR | | Authors: | Paczkowski, J.E, Bassler, B.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor.
Acs Chem.Biol., 14, 2019
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4Y4M
 | | Thiazole synthase Thi4 from Methanocaldococcus jannaschii | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Putative ribose 1,5-bisphosphate isomerase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate | | Authors: | Zhang, X, Ealick, S.E. | | Deposit date: | 2015-02-10 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
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6YBG
 | | Structure of Mcl-1 in complex with compound 2g | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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2SNS
 | | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | | Deposit date: | 1982-05-14 | | Release date: | 1982-07-29 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: |
Thesis, Texas Agricultural and Mechanical University, 1977
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7QOS
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7SQZ
 | | CSDaV wild-type | | Descriptor: | Citrus Sudden Death-associated Virus Capsid Protein | | Authors: | Guo, F, Matsumura, E.E, Falk, B.W. | | Deposit date: | 2021-11-07 | | Release date: | 2022-05-25 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Citrus sudden death-associated virus as a new expression vector for rapid in planta production of heterologous proteins, chimeric virions, and virus-like particles.
Biotechnol Rep., 35, 2022
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6F7C
 | | TUBULIN-Compound 12 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide, CALCIUM ION, ... | | Authors: | Muehlethaler, T, Prota, A.E, Steinmetz, M.O. | | Deposit date: | 2017-12-08 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Structural Basis of Colchicine-Site targeting Acylhydrazones active against Multidrug-Resistant Acute Lymphoblastic Leukemia.
Iscience, 21, 2019
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4YF1
 | | 1.85 angstrom crystal structure of lmo0812 from Listeria monocytogenes EGD-e | | Descriptor: | CITRATE ANION, Lmo0812 protein, SODIUM ION | | Authors: | Krishna, S.N, Light, S.H, Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 angstrom crystal structure of lmo0812 from Listeria monocytogenes EGD-e
To Be Published
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6MUW
 | | The structure of the Plasmodium falciparum 20S proteasome. | | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2018-10-23 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis.
Nat Microbiol, 4, 2019
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7NWT
 | | Initiated 70S ribosome in complex with 2A protein from encephalomyocarditis virus (EMCV) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Hill, C.H, Napthine, S, Pekarek, L, Kibe, A, Firth, A.E, Graham, S.C, Caliskan, N, Brierley, I. | | Deposit date: | 2021-03-17 | | Release date: | 2021-12-15 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural and molecular basis for Cardiovirus 2A protein as a viral gene expression switch
Nat Commun, 12, 2021
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7B3K
 | | Dynamic complex between all-D-enantiomeric peptide D3 with L723P mutant of amyloid precursor protein (APP) 672-726 fragment (amyloid beta 1-55) | | Descriptor: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | | Authors: | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | | Deposit date: | 2020-12-01 | | Release date: | 2021-01-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors.
J.Med.Chem., 64, 2021
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