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8WX0
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BU of 8wx0 by Molmil
PNPase of M.tuberculosis with its RNA substrate
Descriptor: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer)
Authors:Wang, N, Sheng, Y.N.
Deposit date:2023-10-27
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8X73
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BU of 8x73 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-069
Descriptor: Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8WXF
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BU of 8wxf by Molmil
PNPase of Mycobacterium tuberculosis
Descriptor: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
Authors:Wang, N, Sheng, Y.N, Liu, Y.T.
Deposit date:2023-10-29
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8HMF
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BU of 8hmf by Molmil
head module state 2 of Tetrahymena IFT-A
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transporter, WD40 repeat protein, ...
Authors:Ma, Y, Wu, J, Lei, M.
Deposit date:2022-12-03
Release date:2023-06-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
8X71
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BU of 8x71 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-064
Descriptor: Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8IOW
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BU of 8iow by Molmil
Cryo-EM structure of the sarilumab Fab/IL-6R complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Sarilumab Fab, Interleukin-6 receptor subunit alpha, ...
Authors:She, J, Chen, L, Wang, M.X.
Deposit date:2023-03-13
Release date:2024-03-20
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into IL-6 signaling inhibition by therapeutic antibodies.
Cell Rep, 43, 2024
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
Descriptor: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
Authors:Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
Deposit date:2012-06-05
Release date:2013-01-16
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
6KKI
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BU of 6kki by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded conformation
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2015-10-16
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
5XKD
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BU of 5xkd by Molmil
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom
Descriptor: Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE
Authors:Gu, L, Su, T, Liu, S, Su, J.
Deposit date:2017-05-07
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
Descriptor: Papain-like protease nsp3, ZINC ION, covalent inhibitor
Authors:Wang, Q, Hu, H, Li, M, Xu, Y.
Deposit date:2023-02-23
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
5XKC
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BU of 5xkc by Molmil
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome
Descriptor: Dibenzothiophene desulfurization enzyme A
Authors:Gu, L, Su, T, Liu, S, Su, J.
Deposit date:2017-05-07
Release date:2018-05-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
4PPM
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BU of 4ppm by Molmil
Crystal structure of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Descriptor: Aminotransferase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Lou, X.D, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2014-02-27
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Biochem.Biophys.Res.Commun., 447, 2014
7W0D
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BU of 7w0d by Molmil
Dicer2-LoqsPD-dsRNA complex at mid-translocation state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0C
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BU of 7w0c by Molmil
Dicer2-Loqs-PD-dsRNA complex at early-translocation state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0E
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BU of 7w0e by Molmil
dmDicer2-LoqsPD-dsRNA Active-dicing status
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0B
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BU of 7w0b by Molmil
Dicer2-LoqsPD complex at apo status
Descriptor: Dicer-2, isoform A, Loquacious, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0F
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BU of 7w0f by Molmil
dmDicer2-LoqsPD-dsRNA Post-dicing status
Descriptor: Dicer-2, isoform A, Loquacious, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0A
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BU of 7w0a by Molmil
dmDicer2-LoqsPD-dsRNA Dimer status
Descriptor: Dicer-2, isoform A, Loquacious, ...
Authors:Su, S, Wang, J, Wang, H.W, Ma, J.
Deposit date:2021-11-18
Release date:2022-04-27
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
4P1J
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BU of 4p1j by Molmil
Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, SAMARIUM (III) ION, ...
Authors:Bodenheimer, A.B, Cuneo, M.J, Swartz, P.D, Myles, D.A, Meilleur, F.
Deposit date:2014-02-26
Release date:2015-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
To Be Published
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
2LKH
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BU of 2lkh by Molmil
WSA minor conformation
Descriptor: Acetylcholine receptor
Authors:Xu, Y, Mowrey, D, Cui, T, Perez-Aguilar, J, Saven, J.G, Eckenhoff, R, Tang, P.
Deposit date:2011-10-11
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.
Biochim.Biophys.Acta, 1818, 2011

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