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9F9M
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BU of 9f9m by Molmil
Crystal structure of MUS81-EME1 bound by compound 21.
Descriptor: 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
Authors:Collie, G.W.
Deposit date:2024-05-08
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Fragment-Based Discovery of Novel MUS81 Inhibitors
Acs Med.Chem.Lett., 2024
9B55
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BU of 9b55 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 1
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
8XAV
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BU of 8xav by Molmil
Cryo-EM structure of an anti-phage defense complex
Descriptor: ATP-binding protein, DUF4297
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
9EUB
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BU of 9eub by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 24e
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, [1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Authors:Meyners, C, Buffa, V, Hausch, F.
Deposit date:2024-03-27
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9B5G
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BU of 9b5g by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 2 map and model (Ub(A)/ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
Descriptor: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
Authors:Ikemori-Kawada, M, Watanabe Miyano, S.
Deposit date:2024-03-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
8YXP
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BU of 8yxp by Molmil
Structure of mumps virus L protein (state2)
Descriptor: RNA-directed RNA polymerase L, ZINC ION
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8ZEY
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BU of 8zey by Molmil
Anti-CRISPR type I subtype E3;AcrIE3
Descriptor: AcrIE3
Authors:Kim, D.Y, Park, H.H.
Deposit date:2024-05-07
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Novel structure of the anti-CRISPR protein AcrIE3 and its implication on the CRISPR-Cas inhibition.
Biochem.Biophys.Res.Commun., 722, 2024
9FHP
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BU of 9fhp by Molmil
CryoEM structure of wild-type Turnip Yellows Virus
Descriptor: Minor capsid readthrough protein
Authors:Trapani, S, Lai Kee Him, J, Hoh, F, Brault, V, Bron, P.
Deposit date:2024-05-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:CryoEM structure of wild-type Turnip Yellows Virus
To Be Published
7QTV
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BU of 7qtv by Molmil
Beryllium fluoride form of the Na+,K+-ATPase (E2-BeFx)
Descriptor: 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fruergaard, M.U, Dach, I, Andersen, J.L, Ozol, M, Shahsavar, A, Quistgaard, E.M, Poulsen, H, Fedosova, N.U, Nissen, P.
Deposit date:2022-01-16
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:The Na + ,K + -ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state.
J.Biol.Chem., 298, 2022
8XH6
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BU of 8xh6 by Molmil
Structure of EBV LMP1 dimer
Descriptor: Latent membrane protein 1
Authors:Gao, P, Huang, J.F.
Deposit date:2023-12-17
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Assembly and activation of EBV latent membrane protein 1
To Be Published
9EVX
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BU of 9evx by Molmil
cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P.
Deposit date:2024-04-02
Release date:2024-06-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (1.71 Å)
Cite:Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II.
Science, 384, 2024
8ZN1
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BU of 8zn1 by Molmil
Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P.
Deposit date:2024-05-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
To Be Published
8Y65
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BU of 8y65 by Molmil
Cryo-EM structure of human urate transporter GLUT9 bound to substrate urate
Descriptor: Solute carrier family 2, facilitated glucose transporter member 9, URIC ACID
Authors:Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y.
Deposit date:2024-02-01
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
8ZN4
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BU of 8zn4 by Molmil
Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ...
Authors:Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P.
Deposit date:2024-05-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
To Be Published
8Y66
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BU of 8y66 by Molmil
Cryo-EM structure of human urate transporter GLUT9 bound to inhibitor apigenin
Descriptor: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Solute carrier family 2, facilitated glucose transporter member 9
Authors:Pan, X.J, Shen, Z.L, Xu, L, Huang, G.X.Y.
Deposit date:2024-02-01
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis for urate recognition and apigenin inhibition of human GLUT9.
Nat Commun, 15, 2024
9BB2
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BU of 9bb2 by Molmil
Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 20 and 24
Descriptor: Peptostreptococcal albumin-binding protein
Authors:Lin, Y, Horne, W.S.
Deposit date:2024-04-05
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
Authors:Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
Deposit date:2024-04-23
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8X8S
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BU of 8x8s by Molmil
Crystal structure of Cypovirus Polyhedra mutant fused with c-Myc fragment
Descriptor: Polyhedrin,Myc proto-oncogene protein
Authors:Kojima, M, Ueno, T, Abe, S, Hirata, K.
Deposit date:2023-11-28
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:High-throughput structure determination of an intrinsically disordered protein using cell-free protein crystallization.
Proc.Natl.Acad.Sci.USA, 121, 2024
9B58
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BU of 9b58 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 4
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
6D6Q
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BU of 6d6q by Molmil
Human nuclear exosome-MTR4 RNA complex - overall reconstruction
Descriptor: DNA/RNA (62-MER), Exosome RNA helicase MTR4, Exosome complex component CSL4, ...
Authors:Weick, E.-M, Lima, C.D.
Deposit date:2018-04-22
Release date:2018-06-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Helicase-Dependent RNA Decay Illuminated by a Cryo-EM Structure of a Human Nuclear RNA Exosome-MTR4 Complex.
Cell, 173, 2018
9B5D
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BU of 9b5d by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 1 map and model from consensus
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
7X09
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BU of 7x09 by Molmil
Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, BROMIDE ION, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Manickam, Y, Babbar, P, Pillai, P, Sharma, A.
Deposit date:2022-02-21
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Homo sapiens Prolyl-tRNA synthetase (HsPRS) with double inhibitors (HF and L95)
To Be Published
8ZNC
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BU of 8znc by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH, AKG in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, AMMONIUM ION, Glutamate dehydrogenase, ...
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action
To Be Published
9EU8
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BU of 9eu8 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 15h
Descriptor: (4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Buffa, V, Hausch, F.
Deposit date:2024-03-27
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024

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数据于2024-07-10公开中

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