7PG9
 
 | | human 20S proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-08-13 | | Release date: | 2021-10-20 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
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7R5O
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6P8Z
 | | Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor | | Descriptor: | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-06-08 | | Release date: | 2019-08-28 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
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5XMA
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5XJZ
 | | Structure of DNA1-Ag complex | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XM9
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6P8W
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6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | Authors: | Kack, H, Ek, M. | | Deposit date: | 2019-03-28 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
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7E1Q
 | | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori | | Descriptor: | 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
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7E1R
 | | Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP | | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.795 Å) | | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
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7E1S
 | | Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP | | Descriptor: | 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Zhou, J.S, Zhang, L, Zhang, L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
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6KCF
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5U1F
 | | Initial contact of HIV-1 Env with CD4: Cryo-EM structure of BG505 DS-SOSIP trimer in complex with CD4 and antibody PGT145 | | Descriptor: | BG505 DS-SOSIP gp120, BG505 SOSIP gp41, PGT145 heavy chain, ... | | Authors: | Acharya, P, Kwong, P.D, Potter, C.S, Carragher, B. | | Deposit date: | 2016-11-28 | | Release date: | 2017-02-22 | | Last modified: | 2018-10-03 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Quaternary contact in the initial interaction of CD4 with the HIV-1 envelope trimer.
Nat. Struct. Mol. Biol., 24, 2017
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4WHJ
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8BCM
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6VA1
 | | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element | | Descriptor: | RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
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6MD8
 | | Crystal structure of CTX-M-14 with compound 3 | | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-04 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6MEY
 | | Crystal structure of KPC-2 with compound 9 | | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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7MJU
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6XZU
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6VA2
 | | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5 | | Descriptor: | (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
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6MDU
 | | Crystal structure of NDM-1 with compound 7 | | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6VA3
 | | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC | | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | | Deposit date: | 2019-12-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
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6MIA
 | | Crystal structure of CTX-M-14 with compound 6 | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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6M7I
 | | Crystal structure of KPC-2 with compound 3 | | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-08-20 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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