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7AZS
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70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
分子名称: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
著者Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
登録日2020-11-17
公開日2022-06-08
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7TU4
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Structure of the L. blandensis dGTPase del55-58 mutant bound to Mn
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, SULFATE ION, ...
著者Sikkema, A.P, Klemm, B.P, Horng, J.C, Hall, T.M.T.
登録日2022-02-02
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献High-resolution structures of the SAMHD1 dGTPase homolog from Leeuwenhoekiella blandensis reveal a novel mechanism of allosteric activation by dATP.
J.Biol.Chem., 298, 2022
7OGK
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A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. PNPase-3'ETS(leuZ)
分子名称: 3'ETS(LeuZ), Polyribonucleotide nucleotidyltransferase
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
7AZO
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70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
分子名称: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
著者Jenner, L.B, Yusupov, M, Yusupova, G.
登録日2020-11-17
公開日2022-06-01
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
8C34
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BU of 8c34 by Molmil
Aerobic light exposed 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
分子名称: COBALAMIN, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator, ...
著者Poddar, H, Leys, D.
登録日2022-12-23
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
7P2T
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BU of 7p2t by Molmil
Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative
分子名称: 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
6HAX
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Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A.
登録日2018-08-09
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
6ZUL
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BU of 6zul by Molmil
Crystal structure of dimethylated RSL in complex with cucurbit[7]uril and zinc
分子名称: Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ...
著者Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B.
登録日2020-07-23
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
8QP0
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BU of 8qp0 by Molmil
A hexamer pore in the S-layer of Sulfolobus acidocaldarius formed by SlaA protein
分子名称: S-layer protein A
著者Gambelli, L, McLaren, M, Isupov, M, Conners, R, Daum, B.
登録日2023-09-29
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (11.2 Å)
主引用文献Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius.
Elife, 13, 2024
6VPE
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BU of 6vpe by Molmil
Crystal structure of transcriptional regulator from bacteriophage 186
分子名称: IODIDE ION, Regulatory protein CII
著者Truong, J.Q, Panjikar, S, Bruning, J.B, Shearwin, K.E.
登録日2020-02-03
公開日2021-06-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.211 Å)
主引用文献Crystal structure of a transcriptional regulator from bacteriophage 186
To Be Published
5JZR
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BU of 5jzr by Molmil
Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles
分子名称: Coat protein
著者Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G.
登録日2016-05-17
公開日2016-08-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
6YVP
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BU of 6yvp by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) complexed with dGMP and refined to 2.77 A
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 2, mitochondrial
著者Dolot, R.D, Krakowiak, A, Nawrot, B.C.
登録日2020-04-28
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
6QL5
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BU of 6ql5 by Molmil
Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 2.8 angstrom
分子名称: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
著者Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A.
登録日2019-01-31
公開日2020-03-18
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
6ZUM
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BU of 6zum by Molmil
Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc
分子名称: ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ...
著者Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B.
登録日2020-07-23
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
5LQ1
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BU of 5lq1 by Molmil
1.41 A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with methylphosphonate
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, METHYLPHOSPHONIC ACID ESTER GROUP, ...
著者Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
登録日2016-08-15
公開日2017-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
8RDZ
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BU of 8rdz by Molmil
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, Ibrutinib (unbound form), ...
著者Raux, B, Huber, K.V.M.
登録日2023-12-09
公開日2024-05-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
5K1I
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BU of 5k1i by Molmil
PDE4 crystal structure in complex with small molecule inhibitor
分子名称: 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, MAGNESIUM ION, ZINC ION, ...
著者Segarra, V, Hernandez, B, Ferrer-Miralles, N, Korndoerfer, I, Aymami, J.
登録日2016-05-18
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 59, 2016
7RDX
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BU of 7rdx by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - open class
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2021-07-12
公開日2021-11-24
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
5K6G
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BU of 5k6g by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-24 DS-Cav1 variant.
分子名称: Fusion glycoprotein F0,Fusion glycoprotein F0
著者Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
5LRG
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BU of 5lrg by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin B complex
分子名称: Anabaenopeptin B, Carboxypeptidase B, ZINC ION
著者Schreuder, H, Liesum, A, Loenze, P.
登録日2016-08-19
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
6VM8
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BU of 6vm8 by Molmil
SILv44 T cell receptor bound to HLA-A2 presenting gp100T2M peptide (IMDQVPFSV)
分子名称: Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ...
著者Smith, A.R, Baker, B.M.
登録日2020-01-27
公開日2020-11-25
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner.
Proc.Natl.Acad.Sci.USA, 118, 2021
5K9D
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BU of 5k9d by Molmil
Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ...
著者Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L.
登録日2016-05-31
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
6HJP
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BU of 6hjp by Molmil
Structure of Influenza Hemagglutinin ectodomain (A/duck/Alberta/35/76) in complex with FISW84 Fab Fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of FISW84 Fab Fragment, Hemagglutinin, ...
著者Benton, D.J, Rosenthal, P.B.
登録日2018-09-04
公開日2018-09-26
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Influenza hemagglutinin membrane anchor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7V35
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BU of 7v35 by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex
分子名称: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-08-10
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
6VS6
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Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
分子名称: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020

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