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5V5P
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BU of 5v5p by Molmil
Structure of NLS2R of influenza A virus nucleoprotein bound to importin alpha
分子名称: Importin subunit alpha-1, Nucleoprotein
著者Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
登録日2017-03-14
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Synergy of two low-affinity NLSs determines the high avidity of influenza A virus nucleoprotein NP for human importin alpha isoforms.
Sci Rep, 7, 2017
2K7R
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BU of 2k7r by Molmil
N-terminal domain of the Bacillus subtilis helicase-loading protein DnaI
分子名称: Primosomal protein dnaI, ZINC ION
著者Loscha, K.V, Jaudzems, K, Ioannou, C, Su, X.C, Hill, F.R, Otting, G, Dixon, N.E, Liepinsh, E.
登録日2008-08-19
公開日2009-03-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A novel zinc-binding fold in the helicase interaction domain of the Bacillus subtilis DnaI helicase loader
Nucleic Acids Res., 37, 2009
2M66
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BU of 2m66 by Molmil
Endoplasmic reticulum protein 29 (ERp29) C-terminal domain: 3D Protein Fold Determination from Backbone Amide Pseudocontact Shifts Generated by Lanthanide Tags at Multiple Sites
分子名称: Endoplasmic reticulum resident protein 29
著者Yagi, H, Pilla, K, Maleckis, A, Graham, B, Huber, T, Otting, G.
登録日2013-03-26
公開日2013-07-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Three-dimensional protein fold determination from backbone amide pseudocontact shifts generated by lanthanide tags at multiple sites
Structure, 21, 2013
2JGP
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BU of 2jgp by Molmil
Structure of the TycC5-6 PCP-C bidomain of the tyrocidine synthetase TycC
分子名称: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, SULFATE ION, ...
著者Samel, S.A, Schoenafinger, G, Knappe, T.A, Marahiel, M.A, Essen, L.-O.
登録日2007-02-13
公開日2007-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Insights Into a Peptide Bond-Forming Bidomain from a Nonribosomal Peptide Synthetase.
Structure, 15, 2007
3FDS
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BU of 3fds by Molmil
Structural insight into recruitment of translesion DNA polymerase Dpo4 to sliding clamp PCNA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA polymerase IV, ...
著者Ling, H.
登録日2008-11-26
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insight into recruitment of translesion DNA polymerase Dpo4 to sliding clamp PCNA
Mol.Microbiol., 71, 2009
4I1K
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BU of 4i1k by Molmil
Crystal Structure of VRN1 (Residues 208-341)
分子名称: B3 domain-containing transcription factor VRN1, CHLORIDE ION
著者King, G, Chanson, A.H, McCallum, E.J, Ohme-Takagi, M, Byriel, K, Hill, J.M, Martin, J.L, Mylne, J.S.
登録日2012-11-21
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Arabidopsis B3 Domain Protein VERNALIZATION1 (VRN1) Is Involved in Processes Essential for Development, with Structural and Mutational Studies Revealing Its DNA-binding Surface.
J.Biol.Chem., 288, 2013
6Q74
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BU of 6q74 by Molmil
PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
著者Convery, M.A, Rowland, P, Down, K, Barton, N.
登録日2018-12-12
公開日2018-12-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
4W7P
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BU of 4w7p by Molmil
Crystal Structure of ROCK 1 bound to YB-15-QD37
分子名称: N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1
著者Sprague, E.R.
登録日2014-08-22
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.
Bioorg.Med.Chem.Lett., 24, 2014
6W0W
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BU of 6w0w by Molmil
Structure of KHK in complex with compound 3
分子名称: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0Y
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BU of 6w0y by Molmil
Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0N
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BU of 6w0n by Molmil
Structure of KHK in complex with compound 2
分子名称: 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
著者Jasti, J.
登録日2020-03-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6CXF
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BU of 6cxf by Molmil
Structure of alpha-GSA[26,P5p] bound by CD1d and in complex with the Va14Vb8.2 TCR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Wang, J, Zajonc, D.
登録日2018-04-02
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
2IO4
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BU of 2io4 by Molmil
Crystal structure of PCNA12 dimer from Sulfolobus solfataricus.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DNA polymerase sliding clamp B, ...
著者Hlinkova, V, Ling, H.
登録日2006-10-09
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening.
Acta Crystallogr.,Sect.D, 64, 2008
6ITX
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BU of 6itx by Molmil
Structure of the C-terminal head domain of the avian adenovirus EDSV fiber
分子名称: Fiber protein, GLUTAMINE, SULFATE ION
著者Wei, Q, Song, Y.
登録日2018-11-26
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Unravelling the receptor binding property of egg drop syndrome virus (EDSV) from the crystal structure of EDSV fiber head.
Int.J.Biol.Macromol., 139, 2019
8VRG
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BU of 8vrg by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines
分子名称: Peptidyl-prolyl cis-trans isomerase B
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRH
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BU of 8vrh by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRI
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BU of 8vri by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
4U6P
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BU of 4u6p by Molmil
Structural mechanism of error-free bypass of major benzo[a]pyrene adduct by human polymerase kappa
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*TP*AP*TP*GP*GP*TP*GP*AP*TP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*TP*CP*AP*C)-3'), ...
著者Jha, V.K, Ling, H.
登録日2014-07-29
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa.
Nucleic Acids Res., 44, 2016
4U7C
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BU of 4u7c by Molmil
Structure of DNA polymerase kappa in complex with benzopyrene adducted DNA
分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DI(HYDROXYETHYL)ETHER, ...
著者Jha, V.K, Ling, H.
登録日2014-07-30
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa.
Nucleic Acids Res., 44, 2016
5L72
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BU of 5l72 by Molmil
PI3 kinase delta in complex with N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
分子名称: N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Rowland, P.
登録日2016-06-01
公開日2016-07-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Evolution of a Novel, Orally Bioavailable Series of PI3K delta Inhibitors from an Inhaled Lead for the Treatment of Respiratory Disease.
J.Med.Chem., 59, 2016
4U2X
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BU of 4u2x by Molmil
Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus
分子名称: CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24
著者Xu, W, Leung, D, Borek, D, Amarasinghe, G.
登録日2014-07-18
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.153 Å)
主引用文献Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
6Q6Y
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BU of 6q6y by Molmil
PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
著者Convery, M.A, Rowland, P, Down, K, Barton, N.
登録日2018-12-12
公開日2018-12-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
6OKE
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BU of 6oke by Molmil
Crystal structure of an apo Transferrin-Receptor-Binding cystine-dense peptide
分子名称: Transferrin-Receptor Binding Peptide
著者Rupert, P.B, Strong, R.K.
登録日2019-04-12
公開日2020-04-15
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020

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