8YIB
 
 | | Staphylococcus aureus lipase -PSA complex - covalent bonding state | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2024-02-29 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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9F51
 | | UP1 in complex with Z608065044 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8VX0
 | | CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN | | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Shah, M.B. | | Deposit date: | 2024-02-02 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
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8OUU
 | | Crystal structure of D1228V c-MET bound by compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ... | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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9C8R
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8Y90
 | | Structure of NET-Nefopam in outward-open state | | Descriptor: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ... | | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | | Deposit date: | 2024-02-06 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
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8YB7
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8XRY
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8VRE
 | | Structure of PYCR1 complexed with NADH and N-formyl-L-proline | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-formyl-L-proline, Pyrroline-5-carboxylate reductase 1, ... | | Authors: | Tanner, J.J, Meeks, K.R. | | Deposit date: | 2024-01-21 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
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9F48
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8ZM6
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8ZAV
 | | alcohol dehydrogenases KpADH mutant - S9Y/F161K | | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, L, Ni, Y, Xu, G.C. | | Deposit date: | 2024-04-25 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Engineering alcohol dehydrogenases KpADH for enhanced organic-solvent tolerance and its molecular mechanisms
To Be Published
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8P5F
 | | Human wild-type GAPDH,orthorhombic form | | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Samygina, V.R, Muronetz, V.I, Schmalhausen, E.V. | | Deposit date: | 2023-05-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | S-nitrosylation and S-glutathionylation of GAPDH: Similarities, differences, and relationships.
Biochim Biophys Acta Gen Subj, 1867, 2023
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9F98
 | | Crystal structure of MUS81-EME1, apo form. | | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9F5D
 | | UP1 in complex with Z641230552 | | Descriptor: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8XBG
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8ZNB
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9F4O
 | | UP1 in complex with Z991506900 | | Descriptor: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8WPZ
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8OSP
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9BFH
 | | Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor | | Descriptor: | (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-17 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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9BFT
 | | Cryo-EM co-structure of AcrB with CU244 | | Descriptor: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | | Authors: | Su, C.C. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
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8WWS
 | | Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid | | Descriptor: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, CARBONATE ION, ... | | Authors: | Han, Y, Kong, X.D, Li, J, Xu, J.H. | | Deposit date: | 2023-10-26 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
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8OUY
 | | Human RAD51B-RAD51C-RAD51D-XRCC2 (BCDX2) complex, 3.4 A resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 2, ... | | Authors: | Greenhough, L.A, Liang, C.C, West, S.C. | | Deposit date: | 2023-04-25 | | Release date: | 2023-06-21 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Nature, 619, 2023
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8WB7
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