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3L13
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BU of 3l13 by Molmil
Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
Descriptor: 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
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite: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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BU of 7r26 by Molmil
PI3K delta in complex with SD5
Descriptor: 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
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2022-02-04
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 7r2b by Molmil
PI3Kdelta in complex with an inhibitor
Descriptor: (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
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2022-02-04
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: DIISOPROPYL PHOSPHONATE, SODIUM ION, SUBTILISIN BPN'
Authors:Gallagher, D.T, Bryan, P, Pan, Q, Gilliland, G.L.
Deposit date:1998-02-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ACETATE ION, ZINC ION, mRNA export factor ICP27 homolog
Authors:Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P.
Deposit date:2018-08-08
Release date:2018-11-21
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.856 Å)
Cite: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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BU of 6he7 by Molmil
20S proteasome from Archaeoglobus fulgidus
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Majumder, P, Rudack, T, Beck, F, Baumeister, W.
Deposit date:2018-08-20
Release date:2018-12-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite: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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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 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
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 8wu7 by Molmil
Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
Descriptor: Isoprenyl transferase
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2023-10-20
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8WU6
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BU of 8wu6 by Molmil
Structure of a Nerylneryl Diphosphate Synthase from Solanum lycopersicum
Descriptor: Nerylneryl diphosphate synthase CPT2, chloroplastic
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2023-10-20
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
8YLZ
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BU of 8ylz by Molmil
Structure of a cis-Geranylfarnesyl Diphosphate Synthase from Streptomyces clavuligerus
Descriptor: Isoprenyl transferase
Authors:Li, F.R, Wang, Q.L, Pan, X.M, Dong, L.B.
Deposit date:2024-03-07
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery, Structure, and Engineering of a cis-Geranylfarnesyl Diphosphate Synthase.
Angew.Chem.Int.Ed.Engl., 2024
2CFE
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BU of 2cfe by Molmil
The 1.5 A crystal structure of the Malassezia sympodialis Mala s 6 allergen, a member of the cyclophilin pan-allergen family
Descriptor: ALANINE, ALLERGEN, GLYCEROL, ...
Authors:Limacher, A, Glaser, A.G, Fluckiger, S, Scheynius, A, Scapozza, L, Crameri, R.
Deposit date:2006-02-20
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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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BU of 6oc2 by Molmil
CSP1-cyc(Orn6D10)
Descriptor: Competence-stimulating peptide type 1
Authors:Yang, Y.
Deposit date:2019-03-21
Release date:2020-01-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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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BU of 6oz4 by Molmil
Crystal structure of broadly neutralizing antibody N49P6 Fab in complex with HIV-1 BG505 SOSIP.664 Env trimer ectodomain.
Descriptor: 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, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.05 Å)
Cite: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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BU of 6oz2 by Molmil
Crystal structure of the broadly neutralizing antibody N49P6 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P6 antibody Fab heavy chain, N49P6 antibody Fab light chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: 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, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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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BU of 5qj0 by Molmil
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
Descriptor: 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, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
3JRM
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BU of 3jrm by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
Deposit date:2009-09-08
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural models for interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
2J23
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BU of 2j23 by Molmil
Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family
Descriptor: THIOREDOXIN
Authors:Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R.
Deposit date:2006-08-16
Release date:2006-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
3JSE
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BU of 3jse by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
Deposit date:2009-09-10
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural models for interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
3JTL
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BU of 3jtl by Molmil
Crystal structure of archaeal 20S proteasome in complex with mutated P26 activator
Descriptor: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
Authors:Stadtmueller, B.M, Whitby, F.G, Hill, C.P.
Deposit date:2009-09-12
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Models for Interactions between the 20S proteasome and its PAN/19S activators.
J.Biol.Chem., 285, 2010
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
Descriptor: Peptide H1-C1, Serine protease HTRA1
Authors:Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
Deposit date:2007-03-01
Release date:2007-11-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
7BV6
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BU of 7bv6 by Molmil
Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
Descriptor: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
Authors:Li, Y, Pan, L.F.
Deposit date:2020-04-09
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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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BU of 7bv4 by Molmil
Crystal structure of STX17 LIR region in complex with GABARAP
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
Authors:Li, Y, Pan, L.F.
Deposit date:2020-04-09
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
Descriptor: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
Authors: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.
Deposit date:2020-06-01
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
Descriptor: 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, ...
Authors: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.
Deposit date:2020-06-02
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021

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