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7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
Descriptor: 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, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
3F62
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BU of 3f62 by Molmil
Crystal Structure of Human IL-18 in complex with Ectromelia virus IL-18 Binding Protein
Descriptor: Interleukin 18 binding protein, Interleukin-18
Authors:Krumm, B.E, Li, Y, Deng, J.
Deposit date:2008-11-05
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for antagonism of human interleukin 18 by poxvirus interleukin 18-binding protein.
Proc.Natl.Acad.Sci.USA, 105, 2008
4ZO5
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BU of 4zo5 by Molmil
PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione
Descriptor: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ...
Authors:Yan, Y.
Deposit date:2015-05-06
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5GQH
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BU of 5gqh by Molmil
Cryo-EM structure of PaeCas3-AcrF3 complex
Descriptor: CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, anti-CRISPR protein 3
Authors:Zhang, X, Ma, J, Wang, Y, Wang, J.
Deposit date:2016-08-07
Release date:2016-09-21
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
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
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-08-12
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
5GNF
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BU of 5gnf by Molmil
Crystal structure of anti-CRISPR protein AcrF3
Descriptor: CALCIUM ION, Uncharacterized protein AcrF3
Authors:Wang, J, Wang, Y.
Deposit date:2016-07-20
Release date:2016-09-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
7KSP
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BU of 7ksp by Molmil
Crystal structure of hSAMD9_DBD with DNA
Descriptor: DNA, Sterile alpha motif domain-containing protein 9
Authors:Peng, S, Pathak, P, Xiang, Y, Deng, J.
Deposit date:2020-11-23
Release date:2022-01-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
Descriptor: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
6U8Y
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BU of 6u8y by Molmil
Structure of the membrane-bound sulfane sulfur reductase (MBS), an archaeal respiratory membrane complex
Descriptor: DUF4040 domain-containing protein, IRON/SULFUR CLUSTER, Monovalent cation/H+ antiporter subunit B, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2019-09-06
Release date:2020-09-09
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life.
Nat Commun, 11, 2020
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
2KOD
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BU of 2kod by Molmil
A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA
Descriptor: HIV-1 CA C-terminal domain
Authors:Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M.
Deposit date:2009-09-18
Release date:2009-11-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function.
Cell(Cambridge,Mass.), 139, 2009
7VRD
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BU of 7vrd by Molmil
Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric acid sodium
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-10-22
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
7V67
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BU of 7v67 by Molmil
Crystal Structure of Enolase1 from Candida albicans
Descriptor: Enolase 1, SULFATE ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-08-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
7FB8
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BU of 7fb8 by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1
Descriptor: ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2
Authors:Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
7FBA
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BU of 7fba by Molmil
De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd2
Descriptor: ALA-LE1-CYS-GLU-CYS-GLY-PRO-THR-ARG-GLU-CYS-LYS-NH2, GLU-CYS-ARG-GLU-TYR-GLY-PRO-LE1-LYS-LE1-LE1-ALA-NH2
Authors:Yao, H, Yao, S, Moyer, A, Zheng, Y, Baker, D, Wu, C.
Deposit date:2021-07-08
Release date:2022-05-18
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
3KEA
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BU of 3kea by Molmil
Structure function studies of vaccinia virus host-range protein K1 reveal a novel ankyrin repeat interaction surface for K1s function
Descriptor: K1L
Authors:Li, Y.
Deposit date:2009-10-25
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure function studies of vaccinia virus host range protein k1 reveal a novel functional surface for ankyrin repeat proteins.
J.Virol., 84, 2010
5EOQ
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BU of 5eoq by Molmil
Structure of the murine Fab 1G6 bound to the vaccinia virus A27 peptide 31-40
Descriptor: Anti vaccinia virus A27 antibody Fab 1G6 heavy chain, Anti vaccinia virus A27 antibody Fab 1G6 light chain, Protein A27
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2015-11-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox.
J.Virol., 90, 2016
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
5EOR
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BU of 5eor by Molmil
Structure of the murine antibody Fab 8E3 bound to the vaccinia virus A27 peptide 101-110
Descriptor: Protein A27, SODIUM ION, anti vaccinia virus A27 antibody 8E3 heavy chain, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2015-11-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox.
J.Virol., 90, 2016
4EKX
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BU of 4ekx by Molmil
Crystal Structure of YLDV 14L IL-18 Binding Protein in Complex with Human IL-18
Descriptor: 14L protein, Interleukin-18
Authors:Krumm, B.E, Xiang, Y, Deng, J.
Deposit date:2012-04-10
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique bivalent binding and inhibition mechanism by the yatapoxvirus interleukin 18 binding protein.
Plos Pathog., 8, 2012
4ETQ
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BU of 4etq by Molmil
Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-04-24
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012

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数据于2024-07-24公开中

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