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6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6N3L
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BU of 6n3l by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
5H43
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BU of 5h43 by Molmil
Structural and mechanistical studies of the nuclear import by Importin-alpha
Descriptor: Histone acetyltransferase KAT8, Importin subunit alpha-1
Authors:Wang, R, Li, Y.
Deposit date:2016-10-28
Release date:2017-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the nuclear import of the histone acetyltransferase males-absent-on-the-first by importin alpha 1
Traffic, 19, 2018
6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
Descriptor: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N3O
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BU of 6n3o by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
Descriptor: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
Descriptor: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
8U48
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BU of 8u48 by Molmil
Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate
Descriptor: Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J.
Deposit date:2023-09-09
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8U9F
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BU of 8u9f by Molmil
Crystal structure of Bacteroides thetaiotamicron BT1285 in complex with NaI
Descriptor: 1,2-ETHANEDIOL, Endo-beta-N-acetylglucosaminidase, IODIDE ION, ...
Authors:Sastre, D.E, Navarro, M.V.A.S, Sundberg, E.J.
Deposit date:2023-09-19
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
6NE7
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BU of 6ne7 by Molmil
Structure of G810A mutant of RET protein tyrosine kinase domain.
Descriptor: ADENOSINE MONOPHOSPHATE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
Deposit date:2018-12-17
Release date:2019-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
8U46
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BU of 8u46 by Molmil
Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285 D161A-E163A inactive version
Descriptor: Endo-beta-N-acetylglucosaminidase
Authors:Sastre, D.E, Sultana, N, Sundberg, E.J.
Deposit date:2023-09-09
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8HCM
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BU of 8hcm by Molmil
zebrafish IRF-11 DBD complex with DNA
Descriptor: DNA (5'-D(P*GP*CP*TP*TP*TP*CP*AP*CP*TP*TP*TP*CP*TP*A)-3'), DNA (5'-D(P*TP*AP*GP*AP*AP*AP*GP*TP*GP*AP*AP*AP*GP*C)-3'), Interferon regulatory factor
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-02
Release date:2024-05-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCL
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BU of 8hcl by Molmil
zebrafish IRF-10 DBD complex with DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*TP*TP*CP*AP*CP*TP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*TP*GP*AP*AP*AP*GP*T)-3'), Interferon regulatory factor 10
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-01
Release date:2024-05-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCS
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BU of 8hcs by Molmil
zebrafish IRF-11 DBD
Descriptor: Interferon regulatory factor
Authors:Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
Deposit date:2022-11-03
Release date:2024-05-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
6NEC
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BU of 6nec by Molmil
STRUCTURE OF RET PROTEIN TYROSINE KINASE DOMAIN IN COMPLEX WITH NINTEDANIB
Descriptor: FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
Authors:Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
Deposit date:2018-12-17
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
6NJA
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BU of 6nja by Molmil
Structure of WT RET protein tyrosine kinase domain at 1.92A resolution.
Descriptor: ADENINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Terzyan, S.S, Shen, T, Wu, J, Mooers, B.H.M.
Deposit date:2019-01-02
Release date:2019-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis of resistance of mutant RET protein-tyrosine kinase to its inhibitors nintedanib and vandetanib.
J.Biol.Chem., 294, 2019
8U47
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BU of 8u47 by Molmil
Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285
Descriptor: Endo-beta-N-acetylglucosaminidase, MAGNESIUM ION, PHOSPHATE ION
Authors:Sastre, D.E, Sultana, N, Sundberg, E.J.
Deposit date:2023-09-09
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
5E2W
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BU of 5e2w by Molmil
Anti-TAU AT8 FAB with triply phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
8KHQ
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BU of 8khq by Molmil
Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine
Descriptor: 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ...
Authors:Wang, J, Ye, K, Wang, X.Y, Yan, W.P.
Deposit date:2023-08-22
Release date:2023-12-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
8W01
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BU of 8w01 by Molmil
Crystal structure of DUF1735 domain-containing protein (GH18-like) from Bacteroides faecium at 2.7 A resolution (Space group C2)
Descriptor: DUF1735 domain-containing protein
Authors:Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J.
Deposit date:2024-02-13
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8W04
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BU of 8w04 by Molmil
Crystal structure of DUF1735-domain containing protein (GH18-like) from Bacteroides faecium at 2.9 A resolution (Space group P21)
Descriptor: DUF1735 domain-containing protein
Authors:Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J.
Deposit date:2024-02-13
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020

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数据于2024-09-04公开中

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