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8G1U
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Structure of the methylosome-Lsm10/11 complex
分子名称: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ...
著者Lin, M, Paige, A, Tong, L.
登録日2023-02-03
公開日2023-08-23
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 2023
8FG1
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Human diaphanous inhibitory domain bound to diaphanous autoregulatory domain
分子名称: Protein diaphanous homolog 1
著者Ramirez, L.M.S, Theophall, G, Premo, A, Manigrasso, M, Yepuri, G, Burz, D, Ramasamy, R, Schmidt, A.M, Shekhtman, A.
登録日2022-12-12
公開日2023-10-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Disruption of the productive encounter complex results in dysregulation of DIAPH1 activity.
J.Biol.Chem., 299, 2023
5IPZ
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Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide
分子名称: 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2016-03-10
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
8UOB
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SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
分子名称: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
登録日2023-10-19
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUH
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUW
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUF
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
分子名称: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
著者Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
6I04
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Crystal structure of Sema domain of the Met receptor in complex with FAB
分子名称: Fab heavy chain, Fab light chain, Hepatocyte growth factor receptor
著者Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
登録日2018-10-25
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
8UUY
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SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
7ANK
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BU of 7ank by Molmil
Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with half dimer of alpha-actinin-2
分子名称: Alpha-actinin-2, Myozenin-1
著者Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K.
登録日2020-10-12
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUV
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197
分子名称: CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8FCI
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BU of 8fci by Molmil
tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
著者Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
8FCH
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Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium
分子名称: tRNA (guanine-N(1)-)-methyltransferase
著者Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.956 Å)
主引用文献Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
4XL5
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BU of 4xl5 by Molmil
X-ray structure of bGFP-A / EGFP complex
分子名称: Green fluorescent protein, bGFP-A
著者Chevrel, A, Urvoas, A, Li de la Sierra-Gallay, I, Van Tilbeurgh, H, Minard, P, Valerio-Lepiniec, M.
登録日2015-01-13
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specific GFP-binding artificial proteins ( alpha Rep): a new tool for in vitro to live cell applications.
Biosci.Rep., 35, 2015
6GJ8
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BU of 6gj8 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
分子名称: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
8FMU
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BU of 8fmu by Molmil
Crystal structure of human Brachyury G177D variant in complex with SJF-4601
分子名称: N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T
著者Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C.
登録日2022-12-24
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Development of the First Selective Brachyury Degrader
To Be Published
6GOU
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Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I
分子名称: (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ...
著者Mattevi, A, Piano, V.
登録日2018-06-04
公開日2019-01-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells.
Eur J Med Chem, 163, 2018
6XV0
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BU of 6xv0 by Molmil
lauric acid functionalized hexamolybdoaluminate bound to human serum albumin
分子名称: MYRISTIC ACID, Serum albumin, lauric acid functionalized hexamolybdoaluminate
著者Bijelic, A, Dobrov, A, Roller, A, Rompel, A.
登録日2020-01-21
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Binding of a Fatty Acid-Functionalized Anderson-Type Polyoxometalate to Human Serum Albumin.
Inorg.Chem., 59, 2020
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
8GVG
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BU of 8gvg by Molmil
The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide
分子名称: Beta-2-microglobulin, MHC class I antigen, TD08 TCR alpha chain, ...
著者Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A.
登録日2022-09-15
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
8GVB
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BU of 8gvb by Molmil
The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 peptide
分子名称: 8-mer peptide from Protein Nef, Beta-2-microglobulin, MHC class I antigen, ...
著者Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A.
登録日2022-09-14
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
8GVI
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The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide
分子名称: 8-mer peptide from Protein Nef, Beta-2-microglobulin, H25-11 TCR alpha chain, ...
著者Gao, G.F, Shi, Y, Tan, S, Ma, K, Chai, Y, Qi, J, Kawana-Tachikawa, A, Iwamoto, A, Dong, T, Guan, J.
登録日2022-09-15
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
5Y33
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BU of 5y33 by Molmil
Crystal structure of alginate lyase from Flavobacterium sp. UMI-01 reveals polymannuronate specificity
分子名称: Alginate lyase
著者Qin, H.-M, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2017-07-27
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis for controlling the enzymatic properties of polymannuronate preferred alginate lyase FlAlyA from the PL-7 family.
Chem. Commun. (Camb.), 54, 2018

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