7OEG
 
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ040b | | Descriptor: | (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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3KYK
 | | Crystal structure of li33 Igg1 Fab | | Descriptor: | Heavy Chain Li33 IgG1, Light Chain Li33 IgG1, SULFATE ION | | Authors: | Silvian, L.F, Pepinsky, R.B, Walus, L. | | Deposit date: | 2009-12-06 | | Release date: | 2010-03-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Improving the solubility of anti-LINGO-1 monoclonal antibody Li33 by isotype switching and targeted mutagenesis.
Protein Sci., 19, 2010
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7OEM
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ120 | | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7ZT7
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6MVD
 | | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile, NICKEL (II) ION, ... | | Authors: | Manthei, K.A, Chang, L, Tesmer, J.J.G. | | Deposit date: | 2018-10-25 | | Release date: | 2018-12-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol.
Elife, 7, 2018
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6VJU
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8OF7
 | | Cyc15 Diels Alderase | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R. | | Deposit date: | 2023-03-14 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
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6VK8
 | | Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex with small organic carboxylate at active center | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ... | | Authors: | Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D. | | Deposit date: | 2020-01-18 | | Release date: | 2020-08-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
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6VLV
 | | Factor XIa in complex with compound 11 | | Descriptor: | 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain | | Authors: | Lesburg, C.A. | | Deposit date: | 2020-01-27 | | Release date: | 2020-05-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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6VQ9
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7ON4
 | | SaFtsZ complexed with GDP (co-crystalization with 1mM EDTA) | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-25 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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7ON2
 | | SaFtsZ complexed with GDP (soaking in 10 mM CyDTA) | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-25 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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6Y3Q
 | | Streptavidin mutant S112R_K121E with a biotC5-1 cofactor - an artificial iron hydroxylase | | Descriptor: | SULFATE ION, Streptavidin, biotC5-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-18 | | 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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7OMQ
 | | SaFtsZ complexed with GDPPCP and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, MANGANESE (II) ION, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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7OI2
 | | SaFtsz complexed with GDP (NaCl purification) | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu Morales, J.M. | | Deposit date: | 2021-05-11 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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6MZZ
 | | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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8VIL
 | | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with N,N-dimethyl-histidine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
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7OJB
 | | SaFtsZ(R143K) complexed with GDP | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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8EM8
 | | Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165 | | Descriptor: | UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ... | | Authors: | Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-09-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.
J.Med.Chem., 67, 2024
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7OJZ
 | | SaFtsZ complexed with GMPCP | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-17 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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6VZA
 | | Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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8K3U
 | | S. cerevisiae Chs1 in complex with UDP and GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ... | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8VIK
 | | EgtB-IV from Crocosphaera subtropica, a type IV sulfoxide synthase involved in ergothioneine biosynthesis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
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8K3R
 | | S. cerevisiae Chs1 in apo state incubated with GlcNAc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | Authors: | Bai, L, Chen, D. | | Deposit date: | 2023-07-16 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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7QPC
 | | Inward-facing NPA bound form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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