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7S0Z
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BU of 7s0z by Molmil
Structures of TcdB in complex with R-Ras
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
6S0K
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BU of 6s0k by Molmil
Ribosome nascent chain in complex with SecA
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Jomaa, A, Wang, S, Shan, S, Ban, N.
登録日2019-06-17
公開日2019-10-09
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The molecular mechanism of cotranslational membrane protein recognition and targeting by SecA.
Nat.Struct.Mol.Biol., 26, 2019
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-05
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
7KMG
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BU of 7kmg by Molmil
LY-CoV555 neutralizing antibody against SARS-CoV-2
分子名称: GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7KMH
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BU of 7kmh by Molmil
LY-CoV488 neutralizing antibody against SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ...
著者Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A.
登録日2020-11-02
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates.
Sci Transl Med, 13, 2021
7SPT
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BU of 7spt by Molmil
Crystal structure of exofacial state human glucose transporter GLUT3
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7SPS
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BU of 7sps by Molmil
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
著者Wang, N, Jiang, X, Yan, N.
登録日2021-11-03
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
7T17
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BU of 7t17 by Molmil
Zika Virus asymmetric unit bound with IgM antibody DH1017 Fab fragment
分子名称: Core protein, DH1017.IgM FabC constant domain, DH1017.IgM IgH, ...
著者Miller, A.S, Kuhn, R.J.
登録日2021-12-01
公開日2022-11-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.26 Å)
主引用文献A Zika virus-specific IgM elicited in pregnancy exhibits ultrapotent neutralization.
Cell, 185, 2022
4PAR
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BU of 4par by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA
分子名称: 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ...
著者Horton, J.R, Cheng, X.
登録日2014-04-09
公開日2014-06-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W.
登録日2021-01-21
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
6ZJ3
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BU of 6zj3 by Molmil
Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis
分子名称: 18S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Matzov, D, Halfon, H, Zimmerman, E, Rozenberg, H, Bashan, A, Gray, M.W, Yonath, A.E, Shalev-Benami, M.
登録日2020-06-27
公開日2020-10-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Cryo-EM structure of the highly atypical cytoplasmic ribosome of Euglena gracilis.
Nucleic Acids Res., 48, 2020
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHB
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BU of 7whb by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U)
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, Spike glycoprotein, ...
著者Zeng, J.W, Ge, J.W, Wang, X.Q.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHD
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BU of 7whd by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
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, Spike glycoprotein, ...
著者Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
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, Extracellular calcium-sensing receptor, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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Human Calcium-Sensing Receptor in the inactive close-close conformation
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, Extracellular calcium-sensing receptor
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTV
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BU of 7dtv by Molmil
Human Calcium-Sensing Receptor bound with L-Trp and calcium ions
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
5FGJ
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BU of 5fgj by Molmil
Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453
分子名称: FE (III) ION, MAGNESIUM ION, Phenylalanine-4-hydroxylase
著者Taylor, A.B, Roberts, K.M, Fitzpatrick, P.F.
登録日2015-12-20
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
8QW7
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BU of 8qw7 by Molmil
Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QVU
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BU of 8qvu by Molmil
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
登録日2023-10-18
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QU8
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BU of 8qu8 by Molmil
PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1
分子名称: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
著者Fischer, G, Peter, D, Arce-Solano, S.
登録日2023-10-14
公開日2023-12-06
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QUG
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KRAS-G12C in Complex with Compound 1
分子名称: (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Fischer, G, Kratochvil, B.
登録日2023-10-16
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023

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