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7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-02
Release date:2022-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
6MXU
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BU of 6mxu by Molmil
Crystal structure of hemagglutinin from influenza virus A/Texas/1/1977 (H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-31
Release date:2019-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of hemagglutinin from influenza virus A/Texas/1/1977 (H3N2)
To be Published
8SD3
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BU of 8sd3 by Molmil
CryoEM structure of rat Kv2.1(1-598) wild type in nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel subfamily B member 1
Authors:Tan, X, Swartz, K.J.
Deposit date:2023-04-06
Release date:2023-09-27
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Inactivation of the Kv2.1 channel through electromechanical coupling.
Nature, 622, 2023
8SDA
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BU of 8sda by Molmil
CryoEM structure of rat Kv2.1(1-598) L403A mutant in nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel subfamily B member 1
Authors:Tan, X, Swartz, K.J.
Deposit date:2023-04-06
Release date:2023-09-27
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Inactivation of the Kv2.1 channel through electromechanical coupling.
Nature, 622, 2023
9MS2
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BU of 9ms2 by Molmil
Crystal structure of human CYP3A5 in complex with SJYHJ-111
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450 3A5, DI(HYDROXYETHYL)ETHER, ...
Authors:Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T.
Deposit date:2025-01-09
Release date:2025-04-16
Last modified:2025-04-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
6Y88
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BU of 6y88 by Molmil
IGPS (Indole-3-glycerol phosphate synthase) from Pseudomonas aeruginosa in complex with substrate inhibitor rCdRP
Descriptor: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, CITRIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Selmer, M.
Deposit date:2020-03-03
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09983444 Å)
Cite:Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa : Decarboxylation is not essential for indole formation.
J.Biol.Chem., 295, 2020
7TZE
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BU of 7tze by Molmil
Structure of murine LAG3 domains 1-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein
Authors:Ming, Q, Tran, T.H, Luca, V.C.
Deposit date:2022-02-15
Release date:2022-05-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
7RK3
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BU of 7rk3 by Molmil
Crystal structure of human N-myristoyltransferase 1 fragment (residues 109-496) bound to diacylated human Arf6 octapeptide and Coenzyme A
Descriptor: 4'-diphospho pantetheine, ADP-ribosylation factor 6, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Fenwick, M.K, Lin, H.
Deposit date:2021-07-21
Release date:2022-07-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human N-myristoyltransferase 1 fragment (residues 109-496) bound to diacylated human Arf6 octapeptide and Coenzyme A
To Be Published
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7DD4
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BU of 7dd4 by Molmil
Solution structure of an RNA derived from the joint region of the TAR and PolyA stems of HIV-1 genomic RNA
Descriptor: RNA (36-MER)
Authors:Obayashi, C.M, Shinohara, Y, Masuda, T, Kawai, G.
Deposit date:2020-10-27
Release date:2021-06-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Influence of the 5'-terminal sequences on the 5'-UTR structure of HIV-1 genomic RNA.
Sci Rep, 11, 2021
6YVR
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BU of 6yvr by Molmil
Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13
Descriptor: Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside
Authors:Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism.
Sci Adv, 7, 2021
8OMK
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BU of 8omk by Molmil
hKHK-C in complex with ADP & fructose 1-phosphate
Descriptor: 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ...
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2024-01-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
7RMM
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BU of 7rmm by Molmil
Structure of N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-27
Release date:2022-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
8DP1
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BU of 8dp1 by Molmil
Cryo-EM structure of HIV-1 Env(BG505.T332N SOSIP) in complex with DH1030.1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1030.1 Fab Heavy chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Shared recognition mechanism for HIV-1 envelope-reactive V3 glycan broadly neutralizing B cell lineage maturation in humans and macaques
To Be Published
6OSR
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BU of 6osr by Molmil
Crystal structure of Influenza hemagglutinin from strain A/Melbourne/1/1946(H1N1)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-05-02
Release date:2019-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
8DOW
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BU of 8dow by Molmil
Cryo-EM structure of HIV-1 Env(CH848 10.17 DS.SOSIP_DT) in complex with DH1030.1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1030.1 Fab Heavy chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Shared recognition mechanism for HIV-1 envelope-reactive V3 glycan broadly neutralizing B cell lineage maturation in humans and macaques
To Be Published
6ZBV
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BU of 6zbv by Molmil
Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7
Descriptor: Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone
Authors:Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P.
Deposit date:2020-06-09
Release date:2021-03-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
8RIZ
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BU of 8riz by Molmil
Microtubule-associated kinesin-1 tail complex bound to ADP, two-headed state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Chegkazi, M.S, Steiner, R.A.
Deposit date:2023-12-19
Release date:2024-11-20
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Microtubule association induces a Mg-free apo-like ADP pre-release conformation in kinesin-1 that is unaffected by its autoinhibitory tail.
Nat Commun, 16, 2025
6R3G
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BU of 6r3g by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and alphafluoro-cinnamic acid (Int2)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
7LW4
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BU of 7lw4 by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of S-adenosyl-L-homocysteine (SAH)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S.
Deposit date:2021-02-27
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide.
Nat Commun, 12, 2021
5NQG
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BU of 5nqg by Molmil
Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2 peptide
Descriptor: Apical merozoite antigen 1, RON2
Authors:Vulliez-le Normand, B, Saul, F.A, Faber, B.W, Bentley, G.A.
Deposit date:2017-04-20
Release date:2017-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Cross-reactivity between apical membrane antgen 1 and rhoptry neck protein 2 in P. vivax and P. falciparum: A structural and binding study.
PLoS ONE, 12, 2017
8ORC
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BU of 8orc by Molmil
Mus Musculus Acetylcholinesterase in complex with AL237
Descriptor: 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea, 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Ekstrom, F.E, Linusson, A.
Deposit date:2023-04-13
Release date:2024-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes.
Acs Infect Dis., 10, 2024
9EII
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BU of 9eii by Molmil
Import stalled PINK1 TOM complex, symmetry expanded
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM20 homolog, Mitochondrial import receptor subunit TOM22 homolog, ...
Authors:Kirk, N.S, Glukhova, A, Callegari, S, Komander, D.
Deposit date:2024-11-26
Release date:2025-03-12
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structure of human PINK1 at a mitochondrial TOM-VDAC array.
Science, 388, 2025
7QOW
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BU of 7qow by Molmil
Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, ...
Authors:Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B.
Deposit date:2021-12-29
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase.
Biochemistry, 61, 2022
9EIJ
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BU of 9eij by Molmil
Import stalled PINK1 TOM complex, extended TOM20 helix class
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM20 homolog, Mitochondrial import receptor subunit TOM22 homolog, ...
Authors:Kirk, N.S, Glukhova, A, Callegari, S, Komander, D.
Deposit date:2024-11-26
Release date:2025-03-12
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human PINK1 at a mitochondrial TOM-VDAC array.
Science, 388, 2025

243083

數據於2025-10-15公開中

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