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8YF9
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BU of 8yf9 by Molmil
Cryo-EM structure of Dragon Grouper nervous necrosis virion at pH6.5 (3.12A)
Descriptor: CALCIUM ION, Capsid protein alpha
Authors:Wang, C.H, Chang, W.H.
Deposit date:2024-02-24
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular Mechanism of pH-Induced Protrusion Configuration Switching in Piscine Betanodavirus Implies a Novel Antiviral Strategy.
Acs Infect Dis., 2024
8Y85
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BU of 8y85 by Molmil
Human AE3 with NaHCO3- and DIDS
Descriptor: 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Anion exchange protein 3, BICARBONATE ION
Authors:Jian, L, Zhang, Q, Yao, D, Wang, Q, Xia, Y, Qin, A, Cao, Y.
Deposit date:2024-02-05
Release date:2024-07-31
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:The structural insight into the functional modulation of human anion exchanger 3.
Nat Commun, 15, 2024
9F9A
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BU of 9f9a by Molmil
Crystal structure of MUS81-EME1 bound by compound 12.
Descriptor: 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ...
Authors:Collie, G.W.
Deposit date:2024-05-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.911 Å)
Cite:Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
9B8E
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BU of 9b8e by Molmil
Structure of S-nitrosylated Legionella pneumophila Ceg10.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Tomchick, D.R, Heisler, D.B, Alto, N.M.
Deposit date:2024-03-29
Release date:2024-04-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery.
Plos Pathog., 20, 2024
8W3X
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BU of 8w3x by Molmil
Crystal structure of IRAK4 in complex with compound 6
Descriptor: 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Han, S, Knafels, J.D.
Deposit date:2024-02-22
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833).
Acs Med.Chem.Lett., 15, 2024
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of TTBK1 from Biortus.
To Be Published
8WU2
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BU of 8wu2 by Molmil
Crystal structure of RNA-dependent RNA polymerases from Jingmen tick virus
Descriptor: RNA polymerase, SELENIUM ATOM
Authors:Liu, Z, Han, P, Peng, Q, Qi, J.
Deposit date:2023-10-20
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of RNA-dependent RNA polymerases from Jingmen tick virus and Alongshan virus
HLIFE, 2, 2024
8Y37
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BU of 8y37 by Molmil
Cryo-EM structure of Staphylococcus aureus (15B196) 50S ribosome in complex with MCX-190.
Descriptor: 23S ribosomal RNA, 5S ribosomal RNA, 7-[4-[3-[[(1~{S},2~{R},5~{R},6~{S},7~{S},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-tris(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl]oxycarbonylamino]propoxy]but-1-ynyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid, ...
Authors:Li, Y, Lu, G, Li, J, Pei, X, Lin, J.
Deposit date:2024-01-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Synthetic macrolides overcoming MLS B K-resistant pathogens.
Cell Discov, 10, 2024
8ZWL
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BU of 8zwl by Molmil
Heparin bound Tau fibril polymorph 3
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-13
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Heparin bound Tau fibril polymorph 3
To Be Published
8WFK
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BU of 8wfk by Molmil
human glycine transporter 1 in complex with SSR504734 in outward facing conformation
Descriptor: CHLORIDE ION, SODIUM ION, SSR504734, ...
Authors:Wei, Y, Zhao, Y.
Deposit date:2023-09-19
Release date:2024-04-03
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
8WXZ
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BU of 8wxz by Molmil
Falcilysin in complex with hemoglobin beta chain peptide
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Falcilysin, ...
Authors:Lin, J.Q, Lescar, J.
Deposit date:2023-10-30
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Falcilysin in complex with hemoglobin alpha chain peptide
To Be Published
8XZB
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BU of 8xzb by Molmil
The structure of fox ACE2 and SARS-CoV RBD complex
Descriptor: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
Authors:sun, J.Q.
Deposit date:2024-01-21
Release date:2024-07-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:The binding and structural basis of fox ACE2 to RBDs from different sarbecoviruses.
Virol Sin, 2024
9FBY
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BU of 9fby by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2024-05-14
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
J.Med.Chem., 67, 2024
8VGR
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BU of 8vgr by Molmil
Cryo-EM structure of Tulane virus 9-6-17 variant capsid protein VP1 5-12-18
Descriptor: Capsid protein
Authors:Sun, C, Jiang, W.
Deposit date:2023-12-27
Release date:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The 2.6 angstrom Structure of a Tulane Virus Variant with Minor Mutations Leading to Receptor Change.
Biomolecules, 14, 2024
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Zhang, J, Wang, C.
Deposit date:2023-09-01
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
8Y75
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BU of 8y75 by Molmil
Crystal structure of the CARF-HTH domain of Csx1-Crn2 from Marinitoga sp.
Descriptor: CRISPR-associated protein
Authors:Zhang, D, Yuan, C, Lin, Z.
Deposit date:2024-02-03
Release date:2024-07-17
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the Csx1-Crn2 fusion self-limiting ribonuclease of type III CRISPR system.
Nucleic Acids Res., 52, 2024
9BF0
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BU of 9bf0 by Molmil
MID domain of human Argo2 bound to UTP
Descriptor: Protein argonaute-2, URIDINE 5'-TRIPHOSPHATE
Authors:Harp, J.M, Egli, M.
Deposit date:2024-04-16
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
9ASY
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BU of 9asy by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor
Descriptor: (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C.
Deposit date:2024-02-26
Release date:2024-07-10
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
8YPX
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BU of 8ypx by Molmil
Room temperature structure of TsaGH11 determined by MX
Descriptor: Endo-1,4-beta-xylanase
Authors:Nam, K.H.
Deposit date:2024-03-18
Release date:2024-04-03
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparative Analysis of Room Temperature Structures Determined by Macromolecular and Serial Crystallography.
Crystals, 14, 2024
8VR0
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BU of 8vr0 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
To be published
9FQ2
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BU of 9fq2 by Molmil
Poliovirus 3C protease in H32 spacegroup
Descriptor: Protease 3C
Authors:Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
Deposit date:2024-06-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Poliovirus 3C protease in H32 spacegroup
To Be Published
8VBW
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BU of 8vbw by Molmil
Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1
Authors:Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J.
Deposit date:2023-12-12
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
9EO7
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BU of 9eo7 by Molmil
PHF type tau filament from V337M mutant
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Qi, C, Scheres, S.H.W, Michel, G.
Deposit date:2024-03-14
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
9AZJ
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BU of 9azj by Molmil
Structure of ubiquitinated NEMO UBAN K285C-Ub G76C bound to HOIP NZF1
Descriptor: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, Ubiquitin, ...
Authors:Michel, M.A, Scutts, S, Komander, D.
Deposit date:2024-03-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of TAB2 NZF domain bound to K6 / Lys6-linked diubiquitin
To be published
8XVF
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BU of 8xvf by Molmil
Globular domain of Trichinella spiralis calreticulin
Descriptor: CALCIUM ION, Calreticulin
Authors:Zhu, X.P, Jia, Z.H, Yu, W.
Deposit date:2024-01-15
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:structure of globular domain of Trichinella spiralis calreticulin at 2.76 Angstroms resolution.
To Be Published

224004

數據於2024-08-21公開中

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