6T5L
 
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4YQ0
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | Descriptor: | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Elkins, P.A, Bonnette, W.G, Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To be published
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6NI3
 | | B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex | | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | | Deposit date: | 2018-12-26 | | Release date: | 2019-11-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
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4YQ8
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | Descriptor: | 4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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6Q7D
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | | Descriptor: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-12-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.978 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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7TTH
 | | Human potassium-chloride cotransporter 1 in inward-open state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2022-02-01 | | Release date: | 2022-06-29 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5TRP
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9KXB
 | | Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with 3-methylchuangxinmycin | | Descriptor: | (6~{R})-5,5-dimethyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, Tryptophan--tRNA ligase | | Authors: | Ren, Y, Qiao, H, Wang, S, Liu, W, Fang, P. | | Deposit date: | 2024-12-06 | | Release date: | 2025-07-23 | | Last modified: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
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9GBJ
 | | KRAS G12D in complex with covalent inhibitor | | Descriptor: | 1-[(3S)-1-[2-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]-6-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidin-4-yl]pyrrolidin-3-yl]-3-[1-(methoxymethyl)cyclopropyl]urea, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sirocchi, L.S, Zak, K.M, Wilding, B. | | Deposit date: | 2024-07-31 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.712 Å) | | Cite: | Discovery of Carbodiimide Warheads to Selectively and Covalently Target Aspartic Acid in KRAS G12D .
J.Am.Chem.Soc., 147, 2025
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6QDD
 | | Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 | | Descriptor: | 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2019-01-01 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
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8AY9
 | | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL1, CHLORIDE ION, ... | | Authors: | Infantes, L, Albert, A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought.
Sci Adv, 9, 2023
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8SI2
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
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9KHP
 | | The crystal structure of XhnM1 with SAH | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CYSTEINE, ... | | Authors: | Wu, L, Tang, G.L. | | Deposit date: | 2024-11-11 | | Release date: | 2025-08-20 | | Last modified: | 2025-12-03 | | Method: | X-RAY DIFFRACTION (1.730061 Å) | | Cite: | Targeted Discovery and Characterization of Type-II PKS-NRPS Hybrid DNA-Alkylating Antibiotics.
Angew.Chem.Int.Ed.Engl., 64, 2025
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3UB0
 | | Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus | | Descriptor: | Non-structural protein 6, nsp6,, Non-structural protein 7, ... | | Authors: | Xiao, Y, Hilgenfeld, R, Ma, Q. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
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4LPF
 | | Crystal structure of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor | | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. | | Deposit date: | 2013-07-16 | | Release date: | 2013-08-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the native, substrate-
bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase
Acta Crystallogr.,Sect.D, 2013
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7VHN
 | | Spike of SARS-CoV-2 spike protein(1 up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X. | | Deposit date: | 2021-09-22 | | Release date: | 2022-12-07 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Spike of SARS-CoV-2 spike protein(1 up)
To Be Published
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3E79
 | | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37 | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
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8HWT
 | | SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab | | Descriptor: | BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ... | | Authors: | He, Q.W, Xie, Y. | | Deposit date: | 2023-01-02 | | Release date: | 2023-12-06 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
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6NH1
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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5DC7
 | | Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | | Deposit date: | 2015-08-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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4YML
 | | Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A | | Descriptor: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION | | Authors: | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Tight binding enantiomers of pre-clinical drug candidates.
Bioorg.Med.Chem., 23, 2015
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9G5G
 | | Glycoside Hydrolase Family 157 from Labilibaculum antarcticum (LaGH157) in complex with Laminaribiose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 2 catalytic domain-containing protein, MALONIC ACID, ... | | Authors: | Caseiro, C, Alves, V.D, Carvalho, A.L, Bule, P. | | Deposit date: | 2024-07-16 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Family GH157 enzyme exhibits broad linkage tolerance and a dual endo/exo-beta-glucanase activity on beta-glucans.
Int.J.Biol.Macromol., 282, 2024
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7BIP
 | | Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Zhang, L, Zuo, C, Bechthold, A, Einsle, O. | | Deposit date: | 2021-01-12 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
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6GU8
 | | Glucuronoyl Esterase from Solibacter usitatus | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase | | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | | Deposit date: | 2018-06-19 | | Release date: | 2018-08-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01807833 Å) | | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
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8S9M
 | | DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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