8IVR
 
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | Descriptor: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | | Deposit date: | 2023-03-28 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7OFB
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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8JJ5
 | | Porcine uroplakin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tetraspanin, ... | | Authors: | Oda, T, Yanagisawa, H, Kikkawa, M. | | Deposit date: | 2023-05-29 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM elucidates the uroplakin complex structure within liquid-crystalline lipids in the porcine urothelial membrane.
Commun Biol, 6, 2023
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8CRS
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6UM5
 | | Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F. | | Deposit date: | 2019-10-09 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation.
Science, 366, 2019
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7NWC
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6U3P
 | | Binary complex of native hAChE with oxime reactivator LG-703 | | Descriptor: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | | Deposit date: | 2019-08-22 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
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8DBX
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7OFC
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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8DE9
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPE mixed micelles | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, POTASSIUM ION, Potassium channel, ... | | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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7XKD
 | | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex | | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | | Deposit date: | 2022-04-19 | | Release date: | 2022-08-10 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Nat.Chem.Biol., 18, 2022
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8DE8
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPA mixed micelles | | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, POTASSIUM ION, Potassium channel, ... | | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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8J4F
 | | Structure of human Nav1.7 in complex with Hardwickii acid | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-04-19 | | Release date: | 2023-06-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8CWL
 | | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
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8J0K
 | | Crystal structure of human TFAP2A in complex with DNA | | Descriptor: | DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*CP*GP*AP*GP*GP*CP*AP*G)-3'), GLYCEROL, ... | | Authors: | Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R. | | Deposit date: | 2023-04-11 | | Release date: | 2023-07-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
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7NY2
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7X2A
 | | MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab) | | Descriptor: | MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | | Authors: | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | | Deposit date: | 2022-02-25 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
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6U42
 | | Natively decorated ciliary doublet microtubule | | Descriptor: | DC1, DC2, DC3, ... | | Authors: | Ma, M, Stoyanova, M, Rademacher, G, Dutcher, S.K, Brown, A, Zhang, R. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-13 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the Decorated Ciliary Doublet Microtubule.
Cell, 179, 2019
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8DEY
 | | Ternary complex structure of Cereblon-DDB1 bound to IKZF2(ZF2,3) and the molecular glue DKY709 | | Descriptor: | (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Ma, X, Ornelas, E, Clifton, M.C. | | Deposit date: | 2022-06-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Discovery and characterization of a selective IKZF2 glue degrader for cancer immunotherapy.
Cell Chem Biol, 30, 2023
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7WVE
 | | CT-mut (D523K,D524K,E527K) TLR3-poly(I:C) complex | | Descriptor: | RNA (46-MER), Toll-like receptor 3 | | Authors: | Lim, C.S, Jang, Y.H, Lee, G.Y, Han, G.M, Lee, J.O. | | Deposit date: | 2022-02-10 | | Release date: | 2022-11-16 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | TLR3 forms a highly organized cluster when bound to a poly(I:C) RNA ligand.
Nat Commun, 13, 2022
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8DE7
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM detergent | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, POTASSIUM ION, Potassium channel, ... | | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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7OF8
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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8CVO
 | | Cutibacterium acnes 30S ribosomal subunit with Sarecycline bound, head domain only in the local refined map | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Lomakin, I.B, Devarkar, S.C, Bunick, C.G. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Sarecycline inhibits protein translation in Cutibacterium acnes 70S ribosome using a two-site mechanism.
Nucleic Acids Res., 51, 2023
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8IPS
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7WTD
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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