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PDB: 88675 件

7PJB
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BU of 7pjb by Molmil
Crystal structure of YTHDC1 with compound PSI_DC1_004
分子名称: (R)-homoproline, GLYCEROL, SULFATE ION, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6EIU
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BU of 6eiu by Molmil
Crystal structure of KDM5B in complex with KDOPZ29a
分子名称: 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ29a.
to be published
7SBX
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BU of 7sbx by Molmil
Structure of OC43 spike in complex with polyclonal Fab6 (Donor 1051)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-26
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7SBY
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BU of 7sby by Molmil
Structure of OC43 spike in complex with polyclonal Fab7 (Donor 269)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-26
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6EKS
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BU of 6eks by Molmil
Vibrio cholerae neuraminidase complexed with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Schuetz, A, Heinemann, U.
登録日2017-09-27
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay.
Molecules, 22, 2017
7S76
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BU of 7s76 by Molmil
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
分子名称: (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein
著者Olland, A.M, Suto, R.K.
登録日2021-09-15
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly.
Rsc Med Chem, 13, 2022
5LF0
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BU of 5lf0 by Molmil
Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom
分子名称: CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6ELA
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BU of 6ela by Molmil
Crystal structure of MMP12 in complex with inhibitor BE4.
分子名称: (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ...
著者Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A.
登録日2017-09-28
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
7SB3
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BU of 7sb3 by Molmil
Structure of OC43 spike in complex with polyclonal Fab1 (Donor 269)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Ward, A, Bangaru, S, Antanasijevic, A.
登録日2021-09-23
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
7PJ8
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BU of 7pj8 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_225
分子名称: N-methyl-1H-indole-4-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7SB4
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BU of 7sb4 by Molmil
Structure of OC43 spike in complex with polyclonal Fab2 (Donor 1412)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-23
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
著者Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
登録日2019-08-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
分子名称: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
著者Wei, H, Zhou, A.
登録日2016-03-08
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
7SB5
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BU of 7sb5 by Molmil
Structure of OC43 spike in complex with polyclonal Fab3 (Donor 1412)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-23
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6R5S
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BU of 6r5s by Molmil
Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Fe(II)
分子名称: 1,2-ETHANEDIOL, Adhesion protein, FE (II) ION
著者Morera, S, Vigouroux, A.
登録日2019-03-25
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
7SBV
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BU of 7sbv by Molmil
Structure of OC43 spike in complex with polyclonal Fab4 (Donor 269)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-26
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
4XIA
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BU of 4xia by Molmil
STRUCTURES OF D-XYLOSE ISOMERASE FROM ARTHROBACTER STRAIN B3728 CONTAINING THE INHIBITORS XYLITOL AND D-SORBITOL AT 2.5 ANGSTROMS AND 2.3 ANGSTROMS RESOLUTION, RESPECTIVELY
分子名称: D-XYLOSE ISOMERASE, MAGNESIUM ION, sorbitol
著者Henrick, K, Collyer, C.A, Blow, D.M.
登録日1989-07-05
公開日1990-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of D-xylose isomerase from Arthrobacter strain B3728 containing the inhibitors xylitol and D-sorbitol at 2.5 A and 2.3 A resolution, respectively.
J.Mol.Biol., 208, 1989
7PJP
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BU of 7pjp by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_226
分子名称: 5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-24
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
7SBW
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BU of 7sbw by Molmil
Structure of OC43 spike in complex with polyclonal Fab5 (Donor 1051)
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, Human polyclonal Fab model with polyalanine backbone - Heavy chain, ...
著者Bangaru, S, Antanasijevic, A, Ward, A.
登録日2021-09-26
公開日2022-05-04
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mapping of antibody landscapes to human betacoronavirus spike proteins.
Sci Adv, 8, 2022
6M9J
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BU of 6m9j by Molmil
Racemic-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712
分子名称: Ice nucleation protein
著者Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A.
登録日2018-08-23
公開日2019-03-27
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (0.9 Å)
主引用文献Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
7PJ9
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BU of 7pj9 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_232
分子名称: 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-08-23
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
6XLI
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BU of 6xli by Molmil
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE
分子名称: GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ...
著者Malia, T.J, Teplyakov, A, Luo, J.
登録日2020-06-28
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
分子名称: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
7PFJ
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20 minute Fe2+ soaked structure of SynFtn Variant E141A
分子名称: ACETATE ION, CHLORIDE ION, FE (III) ION, ...
著者Hemmings, A.M, Bradley, J.M.
登録日2021-08-11
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Key carboxylate residues for iron transit through the prokaryotic ferritin Syn Ftn.
Microbiology (Reading, Engl.), 167, 2021
8BXG
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BU of 8bxg by Molmil
Structure of the K/H exchanger KefC.
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ...
著者Gulati, A, Drew, D.
登録日2022-12-08
公開日2023-12-20
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024

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