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5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
7WIJ
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BU of 7wij by Molmil
Cryo-EM structure of prenyltransferase domain of Macrophoma phaseolina macrophomene synthase
Descriptor: Geranylgeranyl diphosphate synthase
Authors:Mori, T, Adachi, N, Abe, I.
Deposit date:2022-01-03
Release date:2022-06-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
6LKA
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BU of 6lka by Molmil
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
Descriptor: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
4MH1
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BU of 4mh1 by Molmil
Crystal structure and functional studies of quinoprotein L-sorbose dehydrogenase from Ketogulonicigenium vulgare Y25
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Sorbose dehydrogenase
Authors:Han, X, Liu, X.
Deposit date:2013-08-29
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of L-sorbose dehydrogenase, a pyrroloquinoline quinone-dependent enzyme with homodimeric assembly, from Ketogulonicigenium vulgare
Biotechnol.Lett., 36, 2014
4IOP
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BU of 4iop by Molmil
Crystal structure of NKp65 bound to its ligand KACL
Descriptor: C-type lectin domain family 2 member A, Killer cell lectin-like receptor subfamily F member 2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y.
Deposit date:2013-01-08
Release date:2013-07-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of NKp65 bound to its keratinocyte ligand reveals basis for genetically linked recognition in natural killer gene complex.
Proc.Natl.Acad.Sci.USA, 110, 2013
8DZI
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BU of 8dzi by Molmil
Structure of SARS-CoV-2 Omicron BA.1.1.529 Spike trimer with one RBD down in complex with the Fab fragment of human neutralizing antibody MB.02
Descriptor: 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, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2022-08-07
Release date:2022-08-31
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Function and Cryo-EM structures of broadly potent bispecific antibodies against multiple SARS-CoV-2 Omicron sublineages.
Signal Transduct Target Ther, 8, 2023
8DZH
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BU of 8dzh by Molmil
Structure of SARS-CoV-2 Omicron BA.1.1.529 Spike trimer with two RBDs down in complex with the Fab fragment of human neutralizing antibody MB.02
Descriptor: 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, ...
Authors:Hu, Y, Xiong, Y.
Deposit date:2022-08-07
Release date:2022-08-31
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Function and Cryo-EM structures of broadly potent bispecific antibodies against multiple SARS-CoV-2 Omicron sublineages.
Signal Transduct Target Ther, 8, 2023
8JJ1
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BU of 8jj1 by Molmil
Cryo-EM structure of GluN1-2A NMDAR in complex with human Fab2G7 in two fab conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2G7 Heavy Chain, ...
Authors:Wang, H, Zhu, S.
Deposit date:2023-05-29
Release date:2024-06-05
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Structural basis for antibody-mediated NMDA receptor clustering and endocytosis in autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
8JIZ
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BU of 8jiz by Molmil
Cryo-EM structure of GluN1-2A NMDAR in complex with human Fab5F6 in two fab bind conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab5F6 Heavy Chain, ...
Authors:Wang, H, Zhu, S.
Deposit date:2023-05-29
Release date:2024-06-05
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for antibody-mediated NMDA receptor clustering and endocytosis in autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
8JJ2
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BU of 8jj2 by Molmil
Cryo-EM structure of GluN1-2A NMDAR in complex with human Fab2G7 in one fab conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab2G7 Heavy Chain, ...
Authors:Wang, H, Zhu, S.
Deposit date:2023-05-29
Release date:2024-06-05
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for antibody-mediated NMDA receptor clustering and endocytosis in autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
8JJ0
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BU of 8jj0 by Molmil
Cryo-EM structure of GluN1-2A NMDAR in complex with human Fab5F6 in one fab bind conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab5F6 Heavy Chain, ...
Authors:Wang, H, Zhu, S.
Deposit date:2023-05-29
Release date:2024-06-05
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis for antibody-mediated NMDA receptor clustering and endocytosis in autoimmune encephalitis.
Nat.Struct.Mol.Biol., 2024
8KGK
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BU of 8kgk by Molmil
Cryo-EM structure of the GPR61-Gs complex
Descriptor: G-protein coupled receptor 61, 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:Nie, Y, Qiu, Z, Zheng, S.
Deposit date:2023-08-19
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Nat Commun, 14, 2023
7L5D
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BU of 7l5d by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-21
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
8IVZ
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BU of 8ivz by Molmil
Crystal structure of talin R7 in complex with KANK1 KN motif
Descriptor: KN motif and ankyrin repeat domains 1, Talin-1
Authors:Xu, Y, Li, K, Wei, Z, Cong, Y.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
4RAP
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BU of 4rap by Molmil
Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC
Authors:Yao, Q, Lu, Q, Xu, Y, Shao, F.
Deposit date:2014-09-10
Release date:2014-10-29
Method:X-RAY DIFFRACTION (2.881 Å)
Cite:A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family.
Elife, 3, 2014
8KB0
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BU of 8kb0 by Molmil
Crystal structure of 01JD-AEAIIVAMV
Descriptor: Beta2-microglobulin, MHC class I antigen alpha chain, peptide of AIV
Authors:Tang, Z, Zhang, N.
Deposit date:2023-08-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
8KB1
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BU of 8kb1 by Molmil
Crystal structure of 11JD
Descriptor: Beta2-microglobulin, MHC class I antigen, peptide of AIV
Authors:Tang, Z, Zhang, N.
Deposit date:2023-08-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
Descriptor: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
Authors:Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
Descriptor: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-04
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
8HXQ
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BU of 8hxq by Molmil
Nanobody1 in complex with human BCMA ECD
Descriptor: Nanobody1, Tumor necrosis factor receptor superfamily member 17
Authors:Sun, Y, Zhang, B.
Deposit date:2023-01-05
Release date:2024-01-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
8HXR
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BU of 8hxr by Molmil
Nanobody2 in complex with human BCMA ECD
Descriptor: Nanobody2, Tumor necrosis factor receptor superfamily member 17
Authors:Sun, Y, Zhang, B.
Deposit date:2023-01-05
Release date:2024-01-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
Descriptor: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
Authors:Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
Deposit date:2023-08-17
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024

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数据于2024-09-11公开中

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