8X94
 
 | | Structure of human TRPV1 in complex with antagonist --protein purified without CHS | | Descriptor: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,Green fluorescent protein | | Authors: | Fan, J, Lei, X. | | Deposit date: | 2023-11-29 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Structural basis of TRPV1 inhibition by SAF312 and cholesterol.
Nat Commun, 15, 2024
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6WH4
 | | Crystal structure of HTR2A with inverse agonist | | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | | Deposit date: | 2020-04-07 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
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8JF0
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7V4A
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8PNE
 | | E.coli YihX Wild Type Apo | | Descriptor: | Alpha-D-glucose 1-phosphate phosphatase YihX, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Zappala, D, Baumann, P, Jin, Y. | | Deposit date: | 2023-06-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Apo structure of E.coli YihX Wild Type
To Be Published
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7B2G
 | | Crystal structure of R120Q GDAP1 mutant | | Descriptor: | GLYCEROL, Ganglioside-induced differentiation-associated protein 1 | | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
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5MA6
 | | GFP-binding DARPin 3G124nc | | Descriptor: | 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ... | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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5JFX
 | | Crystal structure of TrkA in complex with PF-06273340 | | Descriptor: | High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | | Authors: | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | | Deposit date: | 2016-04-19 | | Release date: | 2017-03-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59, 2016
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5FYF
 | | Structure of CYP153A from Marinobacter aquaeolei | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Danesh Azari, H.R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | | Deposit date: | 2016-03-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
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8JF2
 | | Cryo-EM structure of tetrameric DltB/DltC complex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, D-alanyl carrier protein, DIACYL GLYCEROL, ... | | Authors: | Zhang, P, Liu, Z. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-22 | | Last modified: | 2025-03-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
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8PMZ
 | | HEV gt3 P domain in complex with glycan-insensitive nAb p61.15 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-secreted protein ORF2, scFv_p61.15 | | Authors: | Ssebyatika, G, Krey, T. | | Deposit date: | 2023-06-29 | | Release date: | 2024-07-10 | | Last modified: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | Broadly neutralizing antibodies isolated from HEV convalescents confer protective effects in human liver-chimeric mice.
Nat Commun, 16, 2025
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9DXA
 | | LRRC8A:D Conformation 2 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8D | | Authors: | Lurie, A, Brohawn, S.G. | | Deposit date: | 2024-10-11 | | Release date: | 2024-11-27 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a LRRC8A:D volume-regulated anion channel.
To Be Published
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6Y2M
 | | Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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8GYO
 | | Inner channel lipids regulated gating mechanism of human pannexins. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, ... | | Authors: | Cong, Y, Jin, X, Kong, F, Yan, C. | | Deposit date: | 2022-09-23 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Inner channel lipids regulated gating mechanism of human pannexins.
To Be Published
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5JNV
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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8BHB
 | | GABA-A receptor a5 homomer - a5V3 - RO154513 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, ethyl 8-[(azanylidene-$l^{4}-azanylidene)amino]-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Chirgadze, D.Y, Wahid, A.A. | | Deposit date: | 2022-10-30 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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7P8P
 | | Crystal structure of Fhit covalently bound to a nucleotide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis(5'-adenosyl)-triphosphatase, SODIUM ION, ... | | Authors: | Herzog, D, Missun, M, Diederichs, K, Marx, A. | | Deposit date: | 2021-07-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Chemical Proteomics of the Tumor Suppressor Fhit Covalently Bound to the Cofactor Ap 3 A Elucidates Its Inhibitory Action on Translation.
J.Am.Chem.Soc., 144, 2022
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4RAP
 | | Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407 | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC | | Authors: | Yao, Q, Lu, Q, Xu, Y, Shao, F. | | Deposit date: | 2014-09-10 | | Release date: | 2014-10-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.881 Å) | | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family.
Elife, 3, 2014
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6QTJ
 | | Crystal structure of human CDK8/CYCC in complex with BI 919811 | | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | | Authors: | Boettcher, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
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8BHR
 | | GABA-A receptor a5 homomer - a5V3 - RO7015738 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5 | | Authors: | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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5LXX
 | | High-resolution structure of human collapsin response mediator protein 2 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydropyrimidinase-related protein 2, SULFATE ION | | Authors: | Myllykoski, M, Hensley, K, Kursula, P. | | Deposit date: | 2016-09-23 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Collapsin response mediator protein 2: high-resolution crystal structure sheds light on small-molecule binding, post-translational modifications, and conformational flexibility.
Amino Acids, 49, 2017
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6NW7
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl-L-homocysteine | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-06 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6X85
 | | Crystal Structure of TNFalpha with indolinone compound 9 | | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor | | Authors: | Longenecker, K.L, Stoll, V.S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
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8S0Q
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8GD7
 | | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | | Authors: | Fried, W.A, Chen, X.S, Li, S.X. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors.
Nat Commun, 15, 2024
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