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PDB: 88675 件

5JAD
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BU of 5jad by Molmil
Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Day, P.J, Woolford, A.J.-A.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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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MD65 N332-GT5 SOSIP in complex with RM_N332_03 Fab and RM20A3 Fab
分子名称: 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, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-08
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献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
分子名称: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-13
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-25
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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
分子名称: S-ADENOSYLMETHIONINE, tetrahydroprotoberberine N-methyltransferase
著者Lang, D.E, Morris, J.S, Rowley, M, Torres, M.A, Maksimovich, V.A, Facchini, P.J, Ng, K.K.S.
登録日2019-05-24
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide, ...
著者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.
登録日2020-06-08
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献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
分子名称: 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, ...
著者Pratap, P.P, Antansijevic, A, Ward, A.B.
登録日2023-05-19
公開日2024-05-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ...
著者Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G.
登録日2021-09-17
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
6XQY
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Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
分子名称: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
著者Fenton, B.A, Zhou, P, Davies, C.
登録日2020-07-10
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 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, ...
著者McPherson, A.
登録日2019-05-29
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献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
分子名称: PD-1 Binding Miniprotein GR918.2
著者Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A.
登録日2019-12-04
公開日2020-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献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
分子名称: Aquaporin-7, GLYCEROL
著者Vahedi-Faridi, A, Lodowski, D, Kowatz, T.
登録日2018-11-08
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.995 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ...
著者Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-12-06
公開日2019-12-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, MD65 N332-GT5 SOSIP gp41, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-08
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献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
分子名称: IY-2A Fab heavy chain, IY-2A Fab light chain, Spike glycoprotein
著者Chen, X, Mohapatra, A, Wu, Y.-M.
登録日2022-11-17
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献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
分子名称: 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, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
分子名称: 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, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-21
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献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
分子名称: 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, ...
著者Mohapatra, A, Wu, Y.-M.
登録日2022-11-17
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ...
著者Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
登録日2019-12-27
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
登録日2016-05-09
公開日2016-07-20
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献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
分子名称: Neurofibromin
著者Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
登録日2021-08-15
公開日2022-08-24
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献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
分子名称: MEDI8852 Heavy chain, MEDI8852 Light chain, PHOSPHATE ION
著者Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
登録日2016-05-11
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Inhibitor of growth protein 5
著者Roversi, P, Blanco, F.J, Rojas, A.L, Buitrago, J.A.R.
登録日2016-11-14
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者McFarlane, J.S, Lamb, A.L.
登録日2019-06-14
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
分子名称: 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, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-02-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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件を2024-07-31に公開中

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