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7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
Descriptor: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
Authors:Tang, B, Dang, S.
Deposit date:2022-07-22
Release date:2022-12-28
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
5FEQ
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BU of 5feq by Molmil
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
Descriptor: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-17
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
Descriptor: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
Descriptor: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
Authors:DiDonato, M, Spraggon, G.
Deposit date:2015-12-16
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
7YHH
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BU of 7yhh by Molmil
Solution structure of S-di-mannosylated S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHG
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BU of 7yhg by Molmil
Solution structure of S-mono-mannosylated S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHF
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BU of 7yhf by Molmil
Solution structure of S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHI
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BU of 7yhi by Molmil
Solution structure of O-di-mannosylated carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
Descriptor: Nanobody Nb-007, Spike protein S1
Authors:Yang, J, Lin, S, Sun, H.L, Lu, G.W.
Deposit date:2021-11-20
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
Descriptor: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7YSE
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BU of 7yse by Molmil
Crystal structure of E. coli heterotetrameric GlyRS in complex with tRNA
Descriptor: Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, MAGNESIUM ION, ...
Authors:Han, L, Ju, Y, Zhou, H.
Deposit date:2022-08-12
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:The binding mode of orphan glycyl-tRNA synthetase with tRNA supports the synthetase classification and reveals large domain movements.
Sci Adv, 9, 2023
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
4FIN
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BU of 4fin by Molmil
Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase
Descriptor: CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ...
Authors:Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-09
Release date:2013-07-03
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ABC-F protein EttA gates ribosome entry into the translation elongation cycle.
Nat.Struct.Mol.Biol., 21, 2014
4FZ4
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BU of 4fz4 by Molmil
Crystal structure of HP0197-18kd
Descriptor: CHLORIDE ION, NITRATE ION, Uncharacterized protein conserved in bacteria
Authors:Yuan, Z, Yan, X.
Deposit date:2012-07-06
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis
J.Biol.Chem., 288, 2013
3J3Y
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BU of 3j3y by Molmil
Atomic-level structure of the entire HIV-1 capsid (186 hexamers + 12 pentamers)
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-05-06
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3J4F
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BU of 3j4f by Molmil
Structure of HIV-1 capsid protein by cryo-EM
Descriptor: capsid protein
Authors:Zhao, G, Perilla, J.R, Meng, X, Schulten, K, Zhang, P.
Deposit date:2013-07-11
Release date:2013-07-24
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
3J3Q
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BU of 3j3q by Molmil
Atomic-level structure of the entire HIV-1 capsid
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-04-12
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
7Y1F
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BU of 7y1f by Molmil
Cryo-EM structure of human k-opioid receptor-Gi complex
Descriptor: Dynorphin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Chen, B.O, Xu, F.E.
Deposit date:2022-06-08
Release date:2023-05-24
Last modified:2023-06-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7TZL
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BU of 7tzl by Molmil
The DH dehydratase domain of AlnB
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase
To Be Published
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023

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數據於2024-05-29公開中

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