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PDB: 88675 results

5JAD
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Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Day, P.J, Woolford, A.J.-A.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
8T49
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BU of 8t49 by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_03 Fab and RM20A3 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, MD65 N332-GT5 SOSIP gp120, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6USB
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BU of 6usb by Molmil
Barrier-to-autointegration factor soaked in urea: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-25
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6P3N
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BU of 6p3n by Molmil
Tetrahydroprotoberberine N-methyltransferase in complex with S-adenosylmethionine
Descriptor: S-ADENOSYLMETHIONINE, tetrahydroprotoberberine N-methyltransferase
Authors:Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S.
Deposit date:2019-05-24
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-function studies of tetrahydroprotoberberineN-methyltransferase reveal the molecular basis of stereoselective substrate recognition.
J.Biol.Chem., 294, 2019
6XCP
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BU of 6xcp by Molmil
Immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ...
Authors:Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H.
Deposit date:2020-06-08
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
8SWW
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BU of 8sww by Molmil
BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody IF3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NHP polyclonal antibody IF3 Heavy Chain, ...
Authors:Pratap, P.P, Antansijevic, A, Ward, A.B.
Deposit date:2023-05-19
Release date:2024-05-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Priming antibody responses to the fusion peptide in rhesus macaques.
Npj Vaccines, 9, 2024
7S83
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BU of 7s83 by Molmil
Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ...
Authors:Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G.
Deposit date:2021-09-17
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
Descriptor: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6P57
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BU of 6p57 by Molmil
Crystal Structure of the Beta Subunit of Luteinizing Hormone
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Lutropin subunit beta, alpha-D-mannopyranose, ...
Authors:McPherson, A.
Deposit date:2019-05-29
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:The Crystal Structure of the Beta Subunit of Luteinizing Hormone and a Model for the Intact Hormone
Curr Res Struct Biol, 2019
6V67
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BU of 6v67 by Molmil
Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2
Descriptor: PD-1 Binding Miniprotein GR918.2
Authors:Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A.
Deposit date:2019-12-04
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Computational design of a synthetic PD-1 agonist.
Proc.Natl.Acad.Sci.USA, 118, 2021
6N1G
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BU of 6n1g by Molmil
Crystal structure of Aquaglyceroporin AQP7
Descriptor: Aquaporin-7, GLYCEROL
Authors:Vahedi-Faridi, A, Lodowski, D, Kowatz, T.
Deposit date:2018-11-08
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.995 Å)
Cite:Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF.
Front Physiol, 11, 2020
6V70
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BU of 6v70 by Molmil
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium in the Active Site
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ...
Authors:Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-06
Release date:2019-12-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Metallo Beta Lactamase from Hirschia baltica.
To Be Published
8T4B
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BU of 8t4b by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_32 Fab and RM20A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, MD65 N332-GT5 SOSIP gp41, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2023-06-08
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
8HHZ
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BU of 8hhz by Molmil
SARS-CoV-2 Omicron BA.1 Spike in complex with IY-2A
Descriptor: IY-2A Fab heavy chain, IY-2A Fab light chain, Spike glycoprotein
Authors:Chen, X, Mohapatra, A, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (4.28 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
6MIY
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BU of 6miy by Molmil
Crystal structure of the mCD1d/xxa (JJ239)/iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJJ
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BU of 6mjj by Molmil
Crystal structure of the mCD1d/xxm (JJ290) /iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-21
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
8HHY
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BU of 8hhy by Molmil
SARS-CoV-2 Delta Spike in complex with IS-9A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, ...
Authors:Mohapatra, A, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
6VDS
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BU of 6vds by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromo-ortho-cresol
Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
5JTE
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BU of 5jte by Molmil
Cryo-EM structure of an ErmBL-stalled ribosome in complex with A-, P-, and E-tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
Deposit date:2016-05-09
Release date:2016-07-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
7PGP
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BU of 7pgp by Molmil
The core structure of human neurofibromin isoform 2
Descriptor: Neurofibromin
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
5JW5
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BU of 5jw5 by Molmil
Structure of MEDI8852 Fab Fragment
Descriptor: MEDI8852 Heavy chain, MEDI8852 Light chain, PHOSPHATE ION
Authors:Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
Deposit date:2016-05-11
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
5ME8
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BU of 5me8 by Molmil
N-terminal domain of the human tumor suppressor ING5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Inhibitor of growth protein 5
Authors:Roversi, P, Blanco, F.J, Rojas, A.L, Buitrago, J.A.R.
Deposit date:2016-11-14
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark.
J.Mol.Biol., 431, 2019
6PBT
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BU of 6pbt by Molmil
Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 2 hours
Descriptor: 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
7NEX
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BU of 7nex by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2021-02-05
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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