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9F4K
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BU of 9f4k by Molmil
UP1 in complex with ZINC72259689
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.8 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
9AZI
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BU of 9azi by Molmil
NMR solution structure of cell-permeant miniature protein ZF5.3
Descriptor: Designed Zinc finger protein 5.3, ZINC ION
Authors:Giudice, J.A, Kelly, M, Schepartz, A.
Deposit date:2024-03-11
Release date:2024-05-01
Method:SOLUTION NMR
Cite:Structural and mechanistic basis for efficient endosomal escape by designed mini-proteins
To be published
9F4G
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BU of 9f4g by Molmil
UP1 in complex with Z1373445602
Descriptor: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-27
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
9F4T
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BU of 9f4t by Molmil
UP1 in complex with EN300-805013
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methoxyphenyl)glycinamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.42 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
9AVW
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BU of 9avw by Molmil
Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
Descriptor: SULFATE ION, TGF-beta-activated kinase 1 and MAP3K7-binding protein 2, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
8XHA
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BU of 8xha by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate
Descriptor: 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE
Authors:Xu, M.J, Zhang, D.K.
Deposit date:2023-12-17
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
8XCJ
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BU of 8xcj by Molmil
Open State of central tail fiber of bacteriophage lambda upon binding to LamB (gpJ713-LamB complex)
Descriptor: Maltoporin, Tip attachment protein J
Authors:Ge, X.F, Wang, J.W.
Deposit date:2023-12-09
Release date:2024-05-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural mechanism of bacteriophage lambda tail's interaction with the bacterial receptor.
Nat Commun, 15, 2024
9F4S
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BU of 9f4s by Molmil
UP1 in complex with Z56880342
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
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
9F50
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BU of 9f50 by Molmil
UP1 in complex with Z906021418
Descriptor: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, 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 (1.5 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
9B0B
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BU of 9b0b by Molmil
Structure of Optineurin bound to HOIP NZF1 domain
Descriptor: E3 ubiquitin-protein ligase RNF31, Optineurin, TETRAETHYLENE GLYCOL, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Linkage and substrate specificity conferred by NZF ubiquitin binding domains
To Be Published
9F51
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BU of 9f51 by Molmil
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
9F5F
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BU of 9f5f by Molmil
UP1 in complex with Z992569480
Descriptor: (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, 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
9B9M
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BU of 9b9m by Molmil
Crystal structure of iron-bound FlcD from Pseudomonas aeruginosa
Descriptor: FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C
Authors:Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R.
Deposit date:2024-04-02
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
9ATW
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BU of 9atw by Molmil
Structure of biofilm-forming functional amyloid PSMa1 from Staphylococcus aureus
Descriptor: Phenol-soluble modulin alpha 1 peptide
Authors:Hansen, K.H, Byeon, C.H, Liu, Q, Drace, T, Boesen, T, Conway, J.F, Andreasen, M, Akbey, U.
Deposit date:2024-02-27
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of biofilm-forming functional amyloid PSMa1 from Staphylococcus aureus
Proceedings of the National Academy of Sciences of the United States of America, 2024
9F5G
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BU of 9f5g by Molmil
UP1 in complex with EN300-115958
Descriptor: 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, 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 (1.8 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
9BIV
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BU of 9biv by Molmil
Crystal Structure of Ubc13 with a New Active Site Loop Conformation
Descriptor: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
Authors:Farraj, R.A, Edwards, R.A, Glover, J.N.M.
Deposit date:2024-04-24
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of Ubc13 with a New Active Site Loop Conformation
To Be Published
9BBL
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BU of 9bbl by Molmil
THF filament generated from 4E-Tau(297-407) under neutral Mg2+ condition
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Duan, P, El Mammeri, N.
Deposit date:2024-04-06
Release date:2024-05-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Milligram-scale assembly and NMR fingerprint of tau fibrils adopting the Alzheimer's disease fold.
J.Biol.Chem., 300, 2024
8Z75
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BU of 8z75 by Molmil
The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-04-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH)
To Be Published
9F4H
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BU of 9f4h by Molmil
UP1 in complex with Z106579662
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-27
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
9F4U
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BU of 9f4u by Molmil
UP1 in complex with Z111529496
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
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
9F54
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BU of 9f54 by Molmil
UP1 in complex with EN300-197154
Descriptor: 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, 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 (1.7 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
9F5K
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BU of 9f5k by Molmil
UP1 in complex with Z33546965
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-29
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.7 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
9B33
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BU of 9b33 by Molmil
Structure of concanavalin A (ConA) dimer from the open-state structure of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one ConA dimer. Type II interface between GluK2 ligand-binding domain and ConA
Descriptor: CALCIUM ION, Concanavalin V, ZINC ION
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
8Y1J
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BU of 8y1j by Molmil
Structure of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase ilvA1 from Pseudomonas aeruginosa PAO1
Descriptor: 2-KETOBUTYRIC ACID, L-threonine dehydratase
Authors:Jia, H, Bartlam, M.
Deposit date:2024-01-24
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase IlvA1 from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 704, 2024
9EO2
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BU of 9eo2 by Molmil
X-ray structure of the adduct formed upon reaction of picoplatin with lysozyme (structure B)
Descriptor: ACETATE ION, GLYCEROL, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2024-03-14
Release date:2024-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Picoplatin binding to proteins: X-ray structures and mass spectrometry data on the adducts with lysozyme and ribonuclease A.
Dalton Trans, 53, 2024

223790

건을2024-08-14부터공개중

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