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5JWD
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BU of 5jwd by Molmil
Crystal structure of H-2Db in complex with the LCMV-derived GP392-401 peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A.
Deposit date:2016-05-12
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity.
PLoS ONE, 12, 2017
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
Descriptor: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
4QDS
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BU of 4qds by Molmil
Physical basis for Nrp2 ligand binding
Descriptor: ACETATE ION, GLYCEROL, Neuropilin-2
Authors:Parker, M.W, Vander Kooi, C.W.
Deposit date:2014-05-14
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for VEGF-C Binding to Neuropilin-2 and Sequestration by a Soluble Splice Form.
Structure, 23, 2015
5KBQ
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BU of 5kbq by Molmil
Pak1 in complex with bis-anilino pyrimidine inhibitor
Descriptor: Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol
Authors:Ferguson, A.
Deposit date:2016-06-03
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors.
ACS Med Chem Lett, 7, 2016
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
Descriptor: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
Descriptor: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XKQ
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BU of 6xkq by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ...
Authors:Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
Descriptor: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
4QUZ
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BU of 4quz by Molmil
Crystal structure of Feline Norovirus P Domain
Descriptor: 1,2-ETHANEDIOL, VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
5KJK
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BU of 5kjk by Molmil
SMYD2 in complex with AZ370
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ...
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
4QVA
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BU of 4qva by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-glycolylneuraminic acid
Descriptor: VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
5KJL
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BU of 5kjl by Molmil
SMYD2 in complex with AZ378
Descriptor: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5JC9
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BU of 5jc9 by Molmil
Structure of the Escherichia coli ribosome with the U1052G mutation in the 16S rRNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-14
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J7L
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BU of 5j7l by Molmil
Structure of the 70S E coli ribosome with the U1052G mutation in the 16S rRNA bound to tetracycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-06
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J88
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BU of 5j88 by Molmil
Structure of the E coli 70S ribosome with the U1060A mutation in 16S rRNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-07
Release date:2016-07-06
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
6XKP
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BU of 6xkp by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
6XOX
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BU of 6xox by Molmil
cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
Deposit date:2020-07-07
Release date:2020-11-18
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XW4
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BU of 6xw4 by Molmil
Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867
Descriptor: 1,2-ETHANEDIOL, Capsid protein, Nanobody NB-5867
Authors:Kilic, T, Sabin, C, Hansman, G.
Deposit date:2020-01-23
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
4QVJ
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BU of 4qvj by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-acetylneuraminic acid
Descriptor: VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-15
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
6XIE
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BU of 6xie by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 77
Descriptor: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
4QPS
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BU of 4qps by Molmil
Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acrylamide
Descriptor: N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide, Tyrosine-protein kinase JAK3
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2014-06-24
Release date:2015-01-14
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tricyclic Covalent Inhibitors Selectively Target Jak3 through an Active Site Thiol.
J.Biol.Chem., 290, 2015
6XW7
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BU of 6xw7 by Molmil
Crystal structure of murine norovirus P domain in complex with Nanobody NB-5829 and glycochenodeoxycholate (GCDCA)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, GLYCOCHENODEOXYCHOLIC ACID, ...
Authors:Kilic, T, Sabin, C, Hansman, G.
Deposit date:2020-01-23
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
4QV2
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BU of 4qv2 by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with HBGA A-trisaccharide
Descriptor: 1,2-ETHANEDIOL, VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
6XNK
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BU of 6xnk by Molmil
Crystal structure of dimeric K72A human cytochrome c alkaline conformer
Descriptor: Cytochrome c, HEME C
Authors:Lei, H, Bowler, B.E.
Deposit date:2020-07-03
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Alkaline State of the Domain-Swapped Dimer of Human Cytochrome c : A Conformational Switch for Apoptotic Peroxidase Activity.
J.Am.Chem.Soc., 2022

225399

数据于2024-09-25公开中

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