6FYP
 
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/CX-4945 AT 2.29A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK3 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYI
 | | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6R7U
 | | Selenomethionine variant of Tannerella forsythia promirolysin mutant E225A | | Descriptor: | BORIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2019-03-29 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
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6R7V
 | | Tannerella forsythia promirolysin mutant E225A | | Descriptor: | CALCIUM ION, GLYCEROL, Mirolysin, ... | | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2019-03-29 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
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6R7W
 | | Tannerella forsythia mature mirolysin in complex with a cleaved peptide. | | Descriptor: | CALCIUM ION, CITRIC ACID, ETHANOL, ... | | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2019-03-29 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
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6B16
 | | P21-activated kinase 1 in complex with a 4-azaindole inhibitor | | Descriptor: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1 | | Authors: | Rouge, L, Wang, W. | | Deposit date: | 2017-09-16 | | Release date: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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7ODN
 | | Crystal structure of TD1-mebendazole complex | | Descriptor: | CHLORIDE ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ... | | Authors: | Oliva, M.A, Bonato, F, Diaz, J.F. | | Deposit date: | 2021-04-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
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7OGN
 | | Crystal structure of T2R-TTL -mebendazole complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Oliva, M.A, Bonato, F, Diaz, J.F. | | Deposit date: | 2021-05-07 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
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6H9M
 | | Coiled-coil domain-containing protein 90B residues 43-125 from Homo sapiens fused to a GCN4 adaptor | | Descriptor: | Coiled-coil domain-containing protein 90B, mitochondrial,General control protein GCN4 | | Authors: | Adlakha, J, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2018-08-04 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of MCU-Binding Proteins MCUR1 and CCDC90B - Representatives of a Protein Family Conserved in Prokaryotes and Eukaryotic Organelles.
Structure, 27, 2019
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6H9L
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8A7I
 | | Crystal structure of BRD9 bromodomain in complex with compound EA-89 | | Descriptor: | Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2022-06-21 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
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5T31
 | | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | | Deposit date: | 2016-08-24 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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7BGJ
 | | C. thermophilum Pyruvate Dehydrogenase Complex Core | | Descriptor: | Acetyltransferase component of pyruvate dehydrogenase complex | | Authors: | Tueting, C, Kastritis, P.L. | | Deposit date: | 2021-01-07 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Integrative structure of a 10-megadalton eukaryotic pyruvate dehydrogenase complex from native cell extracts.
Cell Rep, 34, 2021
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7D1M
 | | CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X. | | Deposit date: | 2020-09-14 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
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1LYP
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7OG0
 | | Nontypeable Haemophillus influenzae SapA in open and closed conformations, in complex with double stranded RNA | | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | | Deposit date: | 2021-05-05 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif.
Plos One, 16, 2021
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7OFZ
 | | Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | | Deposit date: | 2021-05-05 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif.
Plos One, 16, 2021
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7OFW
 | | Nontypeable Haemophillus influenzae SapA in complex with heme | | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | | Deposit date: | 2021-05-05 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif.
Plos One, 16, 2021
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7OD0
 | | Mirolysin in complex with compound 9 | | Descriptor: | 1,2-ETHANEDIOL, 2,1,3-benzothiadiazol-4-ylmethanamine, ACETATE ION, ... | | Authors: | Zak, K.M, Bostock, M.J, Ksiazek, M. | | Deposit date: | 2021-04-28 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia .
J Enzyme Inhib Med Chem, 36, 2021
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7OTT
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2M8T
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