6XQ9
 
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13 | | Descriptor: | 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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7Z59
 | | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | | Descriptor: | (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | | Authors: | Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-03-08 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
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8EWY
 | | Structure of Janus Kinase (JAK) dimer complexed with cytokine receptor intracellular domain | | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Interferon lambda receptor 1, ... | | Authors: | Caveney, N.A, Saxton, R.A, Waghray, D, Garcia, K.C. | | Deposit date: | 2022-10-24 | | Release date: | 2023-03-08 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Structural basis of Janus kinase trans-activation.
Cell Rep, 42, 2023
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6V67
 | | Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 | | Descriptor: | PD-1 Binding Miniprotein GR918.2 | | Authors: | Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. | | Deposit date: | 2019-12-04 | | Release date: | 2020-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Computational design of a synthetic PD-1 agonist.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XQ1
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid | | Descriptor: | 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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5MMP
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
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6P6E
 | | Structure of Mouse Importin alpha - PAC3 NLS peptide complex | | Descriptor: | Importin subunit alpha-1, PAC3 NLS | | Authors: | Bernardes, N.E, Silva, T.D, Fukuda, C.A, Oliveira, H.C, Fontes, M.R.M. | | Deposit date: | 2019-06-03 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Comparative study of the interactions between fungal transcription factor nuclear localization sequences with mammalian and fungal importin-alpha.
Sci Rep, 10, 2020
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6UV1
 | | Crystal structure of RNA helicase DDX17 in complex of rU10 RNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Ngo, T.D, Partin, A.C, Nam, Y. | | Deposit date: | 2019-11-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | RNA Specificity and Autoregulation of DDX17, a Modulator of MicroRNA Biogenesis.
Cell Rep, 29, 2019
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5CI5
 | | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose | | Descriptor: | 1,2-ETHANEDIOL, Extracellular solute-binding protein family 1, PENTAETHYLENE GLYCOL, ... | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-07-11 | | Release date: | 2015-07-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of an ABC transporter Solute Binding Protein from Thermotoga Lettingae TMO (Tlet_1705, TARGET EFI-510544) bound with alpha-D-Tagatose
To be published
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8OFM
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8F74
 | | LRRC8A(T48D):C conformation 2 top focus | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-11-18 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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6BF3
 | | Solution structure of de novo macrocycle design7.3a | | Descriptor: | QDP(DPR)K(2TL)(DAS) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BE7
 | | Solution structure of de novo macrocycle Design8.1 | | Descriptor: | DDPT(DPR)(DAR)Q(DGN) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | Deposit date: | 2017-10-24 | | Release date: | 2018-01-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BEN
 | | Solution structure of de novo macrocycle design8.2 | | Descriptor: | (DAR)Q(DPR)(DGN)R(DGL)PQ | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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8ONW
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8T10
 | | TRPV1 in nanodisc bound with two LPA molecules in opposite monomers | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-06-01 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
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8OJ2
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7W9K
 | | Cryo-EM structure of human Nav1.7-beta1-beta2 complex at 2.2 angstrom resolution | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-09 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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8SQ7
 | | X-ray crystal structure of Acinetobacter baumanii beta-lactamase variant OXA-82 K83D in complex with doripenem | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-82, CITRATE ANION, ... | | Authors: | Powers, R.A, Leonard, D.A, June, C.M, Szarecka, A, Wawrzak, Z. | | Deposit date: | 2023-05-04 | | Release date: | 2024-05-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and Dynamic Features of Acinetobacter baumannii OXA-66 beta-Lactamase Explain Its Stability and Evolution of Novel Variants.
J.Mol.Biol., 436, 2024
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8F23
 | | The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation | | Descriptor: | Zinc Sensor protein | | Authors: | Zhao, Z, Zhou, M, Zemerov, S.d, Marmorstein, R, Dmochowski, I.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
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4XRH
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4XQ8
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8T42
 | | Model of TTLL6 MTBH1-2 bound to microtubule | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation.
Nat.Chem.Biol., 2024
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8T3M
 | | TRPV1 in nanodisc bound with 3 LPA molecules | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-06-07 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
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8HB1
 | | Crystal structure of NAD-II riboswitch (two strands) with NMN | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, RNA (30-MER), ... | | Authors: | Peng, X, Lilley, D.M.J, Huang, L. | | Deposit date: | 2022-10-27 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets.
Nucleic Acids Res., 51, 2023
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