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PDB: 88608 results

6X4I
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Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate
Descriptor: 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ...
Authors:Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
7OGZ
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BU of 7ogz by Molmil
Plant peptide hormone receptor complex H1L3S1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide hormone IDL3, ...
Authors:Roman, A.O, Jimenez-Sandoval, P, Santiago, J.
Deposit date:2021-05-07
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
6WNH
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Menin bound to inhibitor M-808
Descriptor: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
Authors:Stuckey, J.A.
Deposit date:2020-04-22
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
7NTB
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BU of 7ntb by Molmil
Crystal structure of human carbonic anhydrase with a benzophenone-derivative
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-03-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches
Acs Med.Chem.Lett., 13, 2022
6NES
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BU of 6nes by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6X3W
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Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus phenobarbital
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, ...
Authors:Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E.
Deposit date:2020-05-21
Release date:2020-09-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
7NWR
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Structure of BT1526, a myo-inositol-1-phosphate synthase
Descriptor: Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Basle, A, Tang, G, Marles-Wright, J, Campopiano, D.
Deposit date:2021-03-17
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of inositol lipid metabolism in gut-associated Bacteroidetes.
Nat Microbiol, 7, 2022
7NWY
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Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-03-17
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O2M
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BU of 7o2m by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289
Descriptor: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6WDF
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BU of 6wdf by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure VI-A)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
6WCR
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BU of 6wcr by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule F0045(S)
Descriptor: (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:kadam, R.U, Wilson, I.A.
Deposit date:2020-03-31
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WEZ
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BU of 6wez by Molmil
Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ...
Authors:Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A.
Deposit date:2020-04-03
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Nat Commun, 12, 2021
6WDB
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BU of 6wdb by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure IV-A)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
7O1E
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BU of 7o1e by Molmil
Crystal structure of PCNA from Chaetomium thermophilum
Descriptor: Proliferating cell nuclear antigen
Authors:Alphey, M.A, MacNeill, S, Yang, D.
Deposit date:2021-03-29
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Non-canonical binding of the Chaetomium thermophilum PolD4 N-terminal PIP motif to PCNA involves Q-pocket and compact 2-fork plug interactions but no 3 10 helix.
Febs J., 290, 2023
7O1F
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BU of 7o1f by Molmil
PCNA from Chaetomium thermophilum in complex with PolD4 PIP peptide
Descriptor: Peptide fragment from PolD4, Proliferating cell nuclear antigen, SODIUM ION
Authors:Alphey, M.A, MacNeill, S, Yang, D.
Deposit date:2021-03-29
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Non-canonical binding of the Chaetomium thermophilum PolD4 N-terminal PIP motif to PCNA involves Q-pocket and compact 2-fork plug interactions but no 3 10 helix.
Febs J., 290, 2023
4TLA
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BU of 4tla by Molmil
Crystal structure of N-terminal C1 domain of KaiC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ...
Authors:Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S.
Deposit date:2014-05-29
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015
6WDM
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BU of 6wdm by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Non-cognate Structure V-B2)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
6WDD
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BU of 6wdd by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure V-A)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
6WF0
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BU of 6wf0 by Molmil
Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H3 Hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A.
Deposit date:2020-04-03
Release date:2020-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Nat Commun, 12, 2021
6ND6
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BU of 6nd6 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with erythromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.85A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svetlov, M.S, Plessa, E, Chen, C.-W, Bougas, A, Krokidis, M.G, Dinos, G.P, Polikanov, Y.S.
Deposit date:2018-12-13
Release date:2019-02-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:High-resolution crystal structures of ribosome-bound chloramphenicol and erythromycin provide the ultimate basis for their competition.
RNA, 25, 2019
4RU9
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BU of 4ru9 by Molmil
Crystal structure of human DNA polymerase eta inserting dCMPNPP opposite a MeFapy-dG adducted DNA template
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase eta, MAGNESIUM ION, ...
Authors:Patra, A, Egli, M.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-04-06
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6WJP
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BU of 6wjp by Molmil
Crystal structure of Arginine Repressor P115Q mutant from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to arginine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ARGININE, ...
Authors:Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B.
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
6WP1
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BU of 6wp1 by Molmil
The Crystal Structure of Apo Domain-Swapped Trimer Q108K:K40L:T51K Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-04-26
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
4TLB
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BU of 4tlb by Molmil
Crystal structure of N-terminal C1 domain of KaiC
Descriptor: CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ...
Authors:Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S.
Deposit date:2014-05-29
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015

222926

數據於2024-07-24公開中

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