9BNR
 
 | | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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9F7H
 | | UP1 in complex with Z45617795 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-phenylethyl)methanesulfonamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.43 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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8ZM5
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8OR6
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9ERM
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8VRU
 | | GII.4c apo norovirus protruding domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID | | Authors: | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | Deposit date: | 2024-01-22 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Advancement of norovirus therapies
To Be Published
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8XS0
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9FOR
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8YJI
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8XV5
 | | Pyridoxamine-bound human SLC19A3 | | Descriptor: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2 | | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | | Deposit date: | 2024-01-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 34, 2024
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8WGX
 | | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with norepinephrine in nanodisc. | | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 2024
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8W18
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8WLK
 | | Cryo-EM structure of human VMAT2 in presence of Tetrabenazine, determined in an outward-facing conformation | | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, Synaptic vesicular amine transporter | | Authors: | Qu, Q, Wang, Y, Zhou, Z. | | Deposit date: | 2023-09-30 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Cryo-EM structure of human apo VMAT2 in an outward-facing conformation
To Be Published
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8OSW
 | | Crystal structure of Rhizobium etli L-asparaginase ReAIV (R4mC-1) | | Descriptor: | CHLORIDE ION, Putative L-asparaginase II protein, ZINC ION | | Authors: | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2023-04-20 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
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9F4M
 | | UP1 in complex with Z1401276297 | | Descriptor: | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.39 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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8XM7
 | | Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex: RhoG/DOCK5/ELMO1 focused map | | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | | Deposit date: | 2023-12-27 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.91 Å) | | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 300, 2024
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8YRC
 | | Chlorinated YabJ from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, OXYGEN ATOM, SODIUM ION, ... | | Authors: | Jeong, C, Kim, H.J. | | Deposit date: | 2024-03-21 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | YabJ from Staphylococcus aureus entraps chlorides within its pocket.
Biochem.Biophys.Res.Commun., 710, 2024
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8YOU
 | | The pmTcDH complex structure with an inhibitor SeCN | | Descriptor: | COPPER (II) ION, GLYCEROL, SELENIUM ATOM, ... | | Authors: | Varfolomeeva, L.A, Polyakov, K.M, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-03-13 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The pmTcDH complex structure with an inhibitor SeCN
To Be Published
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9B7C
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8YTX
 | | Tubulin-RB3-TTL in complex with compound SI9 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-thieno[2,3-d]pyrimidin-4-amine, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2024-03-26 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Tubulin-RB3-TTL in complex with compound SI9
To Be Published
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8VC3
 | | Voltage gated potassium ion channel Kv1.2 in complex with DTx | | Descriptor: | Kunitz-type serine protease inhibitor homolog alpha-dendrotoxin, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 2 | | Authors: | Wu, Y, Sigworth, F.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of Kv1.2 potassium channels, conducting and non-conducting.
Biorxiv, 2024
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8OWM
 | | Crystal structure of glutamate dehydrogenase 2 from Arabidopsis thaliana binding Ca, NAD and 2,2-dihydroxyglutarate | | Descriptor: | 1,2-ETHANEDIOL, 2,2-bis(oxidanyl)pentanedioic acid, CALCIUM ION, ... | | Authors: | Grzechowiak, M, Ruszkowski, M. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional studies of Arabidopsis thaliana glutamate dehydrogenase isoform 2 demonstrate enzyme dynamics and identify its calcium binding site.
Plant Physiol Biochem., 201, 2023
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9CMH
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9F7F
 | | UP1 in complex with Z1491353358 | | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 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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8Y2H
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