8VZJ
 
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase DhcHACS from Dehalococcoidia bacterium in the Complex with THDP and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Kim, Y, Gade, P, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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6VO4
 | | Crystal Structure Analysis of BFL1 | | Descriptor: | Bcl-2-related protein A1 | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2020-01-29 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Identification of a Covalent Molecular Inhibitor of Anti-apoptotic BFL-1 by Disulfide Tethering.
Cell Chem Biol, 27, 2020
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5IRV
 | | Human cytochrome P450 17A1 bound to inhibitor VT-464 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, VT-464 | | Authors: | Scott, E.E, Petrunak, E.M. | | Deposit date: | 2016-03-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
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8W0E
 | | Cryo-EM structure of a human MCM2-7 single hexamer on dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (25-MER), ... | | Authors: | Hunker, O, Yang, R, Bleichert, F. | | Deposit date: | 2024-02-13 | | Release date: | 2024-10-02 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Multiple mechanisms for licensing human replication origins.
Nature, 636, 2024
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8W0G
 | | Cryo-EM structure of a human MCM2-7 dimer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA replication licensing factor MCM2, ... | | Authors: | Yang, R, Hunker, O, Bleichert, F. | | Deposit date: | 2024-02-13 | | Release date: | 2024-10-02 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Multiple mechanisms for licensing human replication origins.
Nature, 636, 2024
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8VDI
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) in Ternary Complex with DB2447 | | Descriptor: | 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), ... | | Authors: | Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D. | | Deposit date: | 2023-12-15 | | Release date: | 2024-09-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14, 2024
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5I41
 | | Structure of the apo RacA DNA binding domain | | Descriptor: | Chromosome-anchoring protein RacA | | Authors: | schumacher, M.A. | | Deposit date: | 2016-02-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular insights into DNA binding and anchoring by the Bacillus subtilis sporulation kinetochore-like RacA protein.
Nucleic Acids Res., 44, 2016
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8VH1
 | | CH235.12 Fab bound to the HIV-1 CH505.M5 SOSIP | | Descriptor: | CH235.I60 Fab Heavy Chain, CH235.I60 Fab Light Chain, CH505.M5 SOSIP gp120, ... | | Authors: | Henderson, R, Acharya, P. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-02 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.08 Å) | | Cite: | Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
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6VUX
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 | | Descriptor: | 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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7LSC
 | | Crystal structure of near-infrared fluorescent protein miRFP670nano3 | | Descriptor: | 3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, miRFP670nano3 | | Authors: | Pletnev, S. | | Deposit date: | 2021-02-18 | | Release date: | 2022-02-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Near-infrared fluorescent protein with enhanced brightness.
To Be Published
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5VNC
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8VDF
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5I48
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6VV7
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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6VVG
 | | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Arginine kinase | | Authors: | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | | Deposit date: | 2020-02-17 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
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8VH2
 | | CH235.12 Fab bound to the HIV-1 CH505.M5 SOSIP | | Descriptor: | CH235.12 Fab Heavy Chain, CH235.12 Fab Light Chain, CH505.M5.G458Y SOSIP gp120, ... | | Authors: | Henderson, R, Acharya, P. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.31 Å) | | Cite: | Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
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5VPP
 | | The 70S P-site tRNA SufA6 complex | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2017-05-05 | | Release date: | 2018-09-26 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8W0F
 | | Cryo-EM structure of a human MCM2-7 double hexamer on dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (47-MER), ... | | Authors: | Hunker, O, Yang, R, Bleichert, F. | | Deposit date: | 2024-02-13 | | Release date: | 2024-10-02 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Multiple mechanisms for licensing human replication origins.
Nature, 636, 2024
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8VDG
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7LTX
 | | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | | Descriptor: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2021-02-20 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC.
Bioorg.Med.Chem.Lett., 68, 2022
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8VGW
 | | VRC01 Fab bound to the HIV-1 CH848 DE3 SOSIP | | Descriptor: | CH848 DE3 SOSIP gp120, CH848 DE3 SOSIP gp41, VRC01 Fab Heavy Chain, ... | | Authors: | Henderson, R, Acharya, P. | | Deposit date: | 2023-12-29 | | Release date: | 2024-10-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Engineering immunogens that select for specific mutations in HIV broadly neutralizing antibodies.
Nat Commun, 15, 2024
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5I5U
 | | X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ... | | Authors: | Somers, D.O. | | Deposit date: | 2016-02-15 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
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8VJH
 | | Cryo-EM of tail-tip of bacteriophage Chi | | Descriptor: | Baseplate hub 1 protein, gp27, Distal tail protein, ... | | Authors: | Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H. | | Deposit date: | 2024-01-06 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structure of flagellotropic bacteriophage Chi.
Structure, 32, 2024
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6VWV
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8VXN
 | | Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera | | Authors: | Baird, J, Holliday, M. | | Deposit date: | 2024-02-05 | | Release date: | 2024-10-02 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
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