6VKM
 
 | | Crystal Structure of Stabilized GP from Makona Variant of Ebola Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein | | Authors: | Gilman, M.S.A, Rutten, L, Langedijk, J.P.M, McLellan, J.S. | | Deposit date: | 2020-01-21 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-Based Design of Prefusion-Stabilized Filovirus Glycoprotein Trimers.
Cell Rep, 30, 2020
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8FYR
 | | MicroED structure of Proteinase K from oxygen milled lamellae | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
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4YRJ
 | | Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 4-chlorobenzene-1,2-diamine (Chem 256) | | Descriptor: | 1,2-ETHANEDIOL, 4-chlorobenzene-1,2-diamine, DIMETHYL SULFOXIDE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-03-15 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4YRS
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6WAE
 | | Crystal Structure of 6X-His tagged SmcR | | Descriptor: | 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION | | Authors: | Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
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8FYP
 | | MicroED structure of Proteinase K from xenon milled lamellae | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.45 Å) | | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
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6WAR
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5L2I
 | | The X-ray co-crystal structure of human CDK6 and Palbociclib. | | Descriptor: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | Deposit date: | 2016-08-01 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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8FYN
 | | MicroED structure of A2A from plasma milled lamellae | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-23 | | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
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6VME
 | | Human ESCRT-I heterotetramer headpiece | | Descriptor: | Multivesicular body subunit 12A, Tumor susceptibility gene 101 protein, Vacuolar protein sorting-associated protein 28 homolog, ... | | Authors: | Flower, T.G, Hurley, J.H, Tjahjono, N. | | Deposit date: | 2020-01-27 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission.
Nat.Struct.Mol.Biol., 27, 2020
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6WBW
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-27 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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4YSM
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6VHY
 | | NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca | | Descriptor: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein | | Authors: | Kreitler, D.F, Gulick, A.M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6VJ9
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6VMX
 | | Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Farenc, C, Rossjohn, J, Gras, S. | | Deposit date: | 2020-01-28 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A Shared TCR Bias toward an Immunogenic EBV Epitope Dominates in HLA-B*07:02-Expressing Individuals.
J Immunol., 205, 2020
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8FYS
 | | MicroED structure of Proteinase K from nitrogen milled lamellae | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | | Deposit date: | 2023-01-26 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.8 Å) | | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
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8FFC
 | | Crystal structure of iron bound Dps protein (PA0962) from Pseudomonas aeruginosa (cubic form) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (II) ION, Probable dna-binding stress protein | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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8FFB
 | | Crystal structure of iron bound Dps protein (PA0962) from Pseudomonas aeruginosa (orthorhombic form) | | Descriptor: | FE (II) ION, Probable dna-binding stress protein | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rivera, M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity.
Int J Mol Sci, 24, 2023
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8IHW
 | | X-ray crystal structure of D43R mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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6VKD
 | | Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, Prefusion RSV F (DS-Cav1), ... | | Authors: | McLellan, J.S. | | Deposit date: | 2020-01-20 | | Release date: | 2020-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
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5L4H
 | | X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with 5-(2-BROMO-ETHYL)-5-ETHYL-PYRIMIDINE-2,4,6-TRIONE (brominated barbiturate) | | Descriptor: | 5-(2-bromoethyl)-5-ethyl-1,3-diazinane-2,4,6-trione, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Fourati, Z, Ruza, R.R, Delarue, M. | | Deposit date: | 2016-05-25 | | Release date: | 2016-12-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Barbiturates Bind in the GLIC Ion Channel Pore and Cause Inhibition by Stabilizing a Closed State.
J. Biol. Chem., 292, 2017
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8IHX
 | | X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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8FFA
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6VNQ
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8FWL
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