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3L13
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Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
7R26
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PI3K delta in complex with SD5
分子名称: 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2022-02-04
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
7R2B
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PI3Kdelta in complex with an inhibitor
分子名称: (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2022-02-04
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
1SUE
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BU of 1sue by Molmil
SUBTILISIN BPN' FROM BACILLUS AMYLOLIQUEFACIENS, MUTANT
分子名称: DIISOPROPYL PHOSPHONATE, SODIUM ION, SUBTILISIN BPN'
著者Gallagher, D.T, Bryan, P, Pan, Q, Gilliland, G.L.
登録日1998-02-17
公開日1998-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of ionic strength dependence of crystal growth rates in a subtilisin variant.
J.Cryst.Growth, 193, 1998
6HAT
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BU of 6hat by Molmil
Globular domain of herpesvirus saimiri ORF57
分子名称: ACETATE ION, ZINC ION, mRNA export factor ICP27 homolog
著者Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
登録日2018-08-08
公開日2018-11-21
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
6HE7
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20S proteasome from Archaeoglobus fulgidus
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Majumder, P, Rudack, T, Beck, F, Baumeister, W.
登録日2018-08-20
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
4WRS
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Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
分子名称: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-10-25
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8WU7
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Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
分子名称: Isoprenyl transferase
著者Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
登録日2023-10-20
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8WU6
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Structure of a Nerylneryl Diphosphate Synthase from Solanum lycopersicum
分子名称: Nerylneryl diphosphate synthase CPT2, chloroplastic
著者Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
登録日2023-10-20
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8YLZ
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Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
分子名称: Isoprenyl transferase
著者Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
登録日2024-03-07
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
2CFE
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The 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family
分子名称: ALANINE, ALLERGEN, GLYCEROL, ...
著者Limacher, A, Glaser, A.G, Fluckiger, S, Scheynius, A, Scapozza, L, Crameri, R.
登録日2006-02-20
公開日2006-02-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Analysis of the cross-reactivity and of the 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family.
Biochem. J., 396, 2006
6OC2
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CSP1-cyc(Orn6D10)
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2019-03-21
公開日2020-01-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OZ4
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Crystal structure of broadly neutralizing antibody N49P6 Fab in complex with HIV-1 BG505 SOSIP.664 Env trimer ectodomain.
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, Envelope glycoprotein gp160, ...
著者Tolbert, W.D, Pazgier, M.
登録日2019-05-15
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.05 Å)
主引用文献Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
6OZ2
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Crystal structure of the broadly neutralizing antibody N49P6 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P6 antibody Fab heavy chain, N49P6 antibody Fab light chain, ...
著者Tolbert, W.D, Pazgier, M.
登録日2019-05-15
公開日2020-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
分子名称: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
著者Sheriff, S.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5QJ0
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
分子名称: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
著者Sheriff, S.
登録日2018-08-13
公開日2018-11-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
2J23
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Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family
分子名称: THIOREDOXIN
著者Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R.
登録日2006-08-16
公開日2006-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family.
J Immunol., 178, 2007
3JRM
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Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
登録日2009-09-08
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural models for interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
3JSE
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BU of 3jse by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
登録日2009-09-10
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural models for interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
3JTL
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Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
登録日2009-09-12
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Models for Interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
2JOA
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HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
分子名称: Peptide H1-C1, Serine protease HTRA1
著者Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
登録日2007-03-01
公開日2007-11-20
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
7BV6
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Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
分子名称: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BV4
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Crystal structure of STX17 LIR region in complex with GABARAP
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C8J
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Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
分子名称: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-01
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
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, Angiotensin-converting enzyme, ...
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-02
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021

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