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6TRK
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BU of 6trk by Molmil
Phl p 6 fold stabilized mutant - S46Y
分子名称: Pollen allergen Phl p 6, ZINC ION
著者Soh, W.T, Brandstetter, H.
登録日2019-12-19
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
6WUS
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BU of 6wus by Molmil
Crystal structure of PRL-1 phosphatase C104D mutant in complex with the Bateman domain of CNNM2 magnesium transporter
分子名称: Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1
著者Kozlov, G, Gehring, K.
登録日2020-05-05
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.758 Å)
主引用文献Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter
J.Biol.Chem., 2020
6WUR
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BU of 6wur by Molmil
Crystal structure of PRL-2 phosphatase C101D mutant in complex with the Bateman domain of CNNM3 magnesium transporter
分子名称: Metal transporter CNNM3, Protein tyrosine phosphatase type IVA 2, SODIUM ION
著者Kozlov, G, Gehring, K.
登録日2020-05-05
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.882 Å)
主引用文献Crystal structure of PRL phosphatase C104D mutant in complex with the Bateman domain of CNNM magnesium transporter
J.Biol.Chem., 2020
8AIW
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BU of 8aiw by Molmil
Structure of the K5/CagI complex
分子名称: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5
著者Blanc, M, Guerin, J, Terradot, L.
登録日2022-07-27
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
8AK1
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BU of 8ak1 by Molmil
Crystal structure of a CagI:K2 complex
分子名称: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K2
著者Blanc, M, Guerin, J, Terradot, L.
登録日2022-07-29
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
8IYG
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BU of 8iyg by Molmil
Human neuronal gap junction channel connexin 36
分子名称: CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein
著者Mao, W.X, Chen, S.S.
登録日2023-04-04
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM.
Arch.Biochem.Biophys., 754, 2024
3DEE
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BU of 3dee by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE REGULATORY PROTEIN INVOLVED IN TRANSCRIPTION (NGO1945) FROM NEISSERIA GONORRHOEAE FA 1090 AT 2.25 A RESOLUTION
分子名称: CHLORIDE ION, IMIDAZOLE, Putative regulatory protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-06-09
公開日2008-08-05
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of the first representative of Pfam family PF09836 reveals a two-domain organization and suggests involvement in transcriptional regulation.
Acta Crystallogr.,Sect.F, 66, 2010
6XRP
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BU of 6xrp by Molmil
Crystal structure of GlpG in complex with peptide ketoamide inhibitor, Ac-RVWHA-ketoamide-phenylbutyl
分子名称: N-(4-phenylbutyl)formamide, Rhomboid protease GlpG, peptide ketoamide inhibitor
著者Urban, S, Cho, S.
登録日2020-07-13
公開日2020-09-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
6XRO
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BU of 6xro by Molmil
Crystal structure of GlpG in complex with peptide boronate inhibitor, Ac-KRFRSMQYSA-B(OH)2
分子名称: CHLORIDE ION, Rhomboid protease GlpG, SODIUM ION, ...
著者Urban, S, Cho, S.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
7M2G
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BU of 7m2g by Molmil
INTERLEUKIN-2 (human) mutant P65K, C125S
分子名称: GLYCEROL, Interleukin-2, SULFATE ION
著者Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M.
登録日2021-03-16
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
6IIU
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BU of 6iiu by Molmil
Crystal structure of the human thromboxane A2 receptor bound to ramatroban
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ...
著者Fan, H, Zhao, Q, Wu, B.
登録日2018-10-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
8CEB
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BU of 8ceb by Molmil
Type2 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein
分子名称: Alpha-synuclein
著者Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Sew, P.C, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M.
登録日2023-02-01
公開日2023-03-08
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
6WUU
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BU of 6wuu by Molmil
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250
分子名称: MAGNESIUM ION, Non-structural protein 3, VIR250, ...
著者Lv, Z, Olsen, S.K.
登録日2020-05-05
公開日2020-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
6WX4
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BU of 6wx4 by Molmil
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251
分子名称: Non-structural protein 3, VIR251, ZINC ION
著者Lv, Z, Olsen, S.K.
登録日2020-05-09
公開日2020-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
5NP7
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BU of 5np7 by Molmil
CryoEM structure of Human Rad51 on single-stranded DNA to 4.2A resolution.
分子名称: DNA repair protein RAD51 homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Short, J.M, Venkitaraman, A.
登録日2017-04-13
公開日2017-05-03
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy.
Nucleic Acids Res., 44, 2016
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
分子名称: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
著者Khan, J.A, Ruzanov, M.
登録日2022-01-28
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7X9E
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BU of 7x9e by Molmil
Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide
分子名称: 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide
著者Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B.
登録日2022-03-15
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
5M41
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BU of 5m41 by Molmil
Crystal structure of nigritoxine
分子名称: MAGNESIUM ION, Nigritoxine
著者Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F.
登録日2016-10-17
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nigritoxin is a bacterial toxin for crustaceans and insects.
Nat Commun, 8, 2017
6YC5
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BU of 6yc5 by Molmil
RT structure of Thaumatin obtained at 1.35 A resolution from crystal grown in a Kapton microchip.
分子名称: L(+)-TARTARIC ACID, SODIUM ION, Thaumatin-1
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2020-03-18
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips.
Acta Crystallogr D Struct Biol, 76, 2020
7N6W
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BU of 7n6w by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7N6U
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BU of 7n6u by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, S, Wang, K, Mao, Y.
登録日2021-06-09
公開日2021-09-22
最終更新日2021-12-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
4X7H
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BU of 4x7h by Molmil
Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor
分子名称: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION
著者Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7L
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BU of 4x7l by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Stein, A, Liang, A.D.
登録日2021-05-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OO4
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HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
著者Stein, A, Liang, A.D.
登録日2021-05-26
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021

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