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4V8L
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BU of 4v8l by Molmil
Cryo-EM Structure of the Mycobacterial Fatty Acid Synthase
Descriptor: FATTY ACID SYNTHASE, FLAVIN MONONUCLEOTIDE
Authors:Boehringer, D, Ban, N, Leibundgut, M.
Deposit date:2012-12-06
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:7.5-A Cryo-Em Structure of the Mycobacterial Fatty Acid Synthase.
J.Mol.Biol., 425, 2013
6PI0
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BU of 6pi0 by Molmil
AgaD472N-Linear Blood group B type 2 trisaccharide complex structure
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Alpha-galactosidase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-06-25
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
8BWH
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BU of 8bwh by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42)
Descriptor: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
Authors:Pennings, M.A.M, Visser, E.J, Ottmann, C.
Deposit date:2022-12-06
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
4W7W
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BU of 4w7w by Molmil
High-resolution structure of XacCel5A in complex with cellopentaose
Descriptor: Cellulase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Paiva, J.H, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-10-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High-resolution structure of XacCel5A in complex with cellopentaose
To Be Published
4W89
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BU of 4w89 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from metagenomic library, in complex with cellotriose
Descriptor: MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
2Q0A
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BU of 2q0a by Molmil
Structure and rearrangements in the carboxy-terminal region of SpIH channels
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Flynn, G.E, Black, K.D, Islas, L.D, Sankaran, B, Zagotta, W.N.
Deposit date:2007-05-21
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure and rearrangements in the carboxy-terminal region of SpIH channels.
Structure, 15, 2007
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
Authors:Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
Deposit date:2019-11-20
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
7NU8
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BU of 7nu8 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction Intermediate Leu-AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7N91
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BU of 7n91 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2317067A-1
Descriptor: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N9O
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BU of 7n9o by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
Descriptor: 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide, Estrogen receptor
Authors:Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza, S.R, Marinier, A, Gleason, J, Mader, S.C, Fanning, S.W.
Deposit date:2021-06-18
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
To Be Published
7NU7
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BU of 7nu7 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with ATP in Conformation 2
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Leucine--tRNA ligase, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
5LJQ
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BU of 5ljq by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor
Descriptor: 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.
Deposit date:2016-07-19
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
7NU3
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BU of 7nu3 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7N93
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BU of 7n93 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2363318A-1
Descriptor: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
5LL4
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BU of 5ll4 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide
Descriptor: 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2016-07-26
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
7NTR
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BU of 7ntr by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SUBSTRATE MIMIC 3-PHENYLPROPIONATE
Descriptor: Branched-chain-amino-acid aminotransferase, cytosolic, HYDROCINNAMIC ACID, ...
Authors:Hillig, R.C.
Deposit date:2021-03-10
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWU
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BU of 7nwu by Molmil
Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII
Descriptor: PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ...
Authors:Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
Deposit date:2021-03-17
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
7N7G
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BU of 7n7g by Molmil
Crystal Structure of FosB from Enterococcus faecium with Fosfomycin
Descriptor: 1,2-ETHANEDIOL, FOSFOMYCIN, MANGANESE (II) ION, ...
Authors:Shay, M.R, Simmons, Z, Thompson, M.K.
Deposit date:2021-06-10
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium.
Protein Sci., 31, 2022
5LMA
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BU of 5lma by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Tyrosine-protein kinase SYK, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7NU0
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BU of 7nu0 by Molmil
Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant in Complex with ATP and L-leucinol
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2021-03-11
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
7NXX
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BU of 7nxx by Molmil
Structure of Superoxide Dismutase 1 (SOD1) in complex with nanobody 2 (Nb2).
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Gallardo, R, Rousseau, F, Schymkowitz, J, Ulens, C.
Deposit date:2021-03-19
Release date:2022-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Identification and rational improvement of a nanobody that suppresses aggregation of mutant SOD1
To Be Published
7NWE
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BU of 7nwe by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 10
Descriptor: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
5LQI
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BU of 5lqi by Molmil
W288A mutant of GlxA from Streptomyces lividans: apo form
Descriptor: Secreted protein
Authors:Chaplin, A.K, Hough, M.A, Worrall, J.A.R.
Deposit date:2016-08-17
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Active-site maturation and activity of the copper-radical oxidase GlxA are governed by a tryptophan residue.
Biochem. J., 474, 2017
6CFJ
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BU of 6cfj by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
Deposit date:2018-02-15
Release date:2018-03-07
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018

243083

数据于2025-10-15公开中

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