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6NM3
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BU of 6nm3 by Molmil
NMR structure of WW295
分子名称: WW295 peptide
著者Wang, G, Zarena, D.
登録日2019-01-10
公開日2020-07-15
最終更新日2020-09-09
実験手法SOLUTION NMR
主引用文献Two distinct amphipathic peptide antibiotics with systemic efficacy.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NPI
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BU of 6npi by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
分子名称: ({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid, 2-pyrrol-1-ylbenzoic acid, Epstein-Barr nuclear antigen 1
著者Messick, T.E.
登録日2019-01-17
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
著者Liuqing, C, Yan, F.
登録日2019-04-29
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
6NZQ
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
分子名称: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZF
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NWZ
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Crystal structure of Agd3 a novel carbohydrate deacetylase
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, CHLORIDE ION, ...
著者Bamford, N.C, Howell, P.L.
登録日2019-02-07
公開日2020-02-12
最終更新日2020-08-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical characterization of the exopolysaccharide deacetylase Agd3 required for Aspergillus fumigatus biofilm formation.
Nat Commun, 11, 2020
6NZE
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
分子名称: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6NZP
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6OJ1
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BU of 6oj1 by Molmil
Crystal Structure of Aspergillus fumigatus Ega3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L.
登録日2019-04-10
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
6OQ5
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Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs
分子名称: 5D, 7F, E3, ...
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.87 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6L30
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Crystal structure of the epithelial cell transforming 2 (ECT2)
分子名称: Protein ECT2
著者Chen, Z.C, Chen, M.R, Pan, H, Sun, L.F, Shi, P.
登録日2019-10-07
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and regulation of human epithelial cell transforming 2 protein.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LA5
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BU of 6la5 by Molmil
Cryo-EM structure of echovirus 11 complexed with its attaching receptor CD55 at pH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Liu, S, Gao, F.G.
登録日2019-11-12
公開日2020-10-07
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LB1
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BU of 6lb1 by Molmil
Cryo-EM structure of echovirus 11 A-particle at pH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Liu, S, Gao, F.G.
登録日2019-11-13
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6O8I
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BU of 6o8i by Molmil
BTK In Complex With Inhibitor
分子名称: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK
著者Pokross, M, Tebben, A.J, Watterson, S.H.
登録日2019-03-11
公開日2019-04-03
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
6OQ8
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Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
分子名称: 7F, Toxin B
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6NPP
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BU of 6npp by Molmil
Crystal structure of Epstein-Barr Virus Nuclear Antigen-1, EBNA1, bound to fragments
分子名称: 3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid, EBNA1, Epstein-Barr nuclear antigen 1
著者Messick, T.E.
登録日2019-01-18
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-based design of small-molecule inhibitors of EBNA1 DNA binding blocks Epstein-Barr virus latent infection and tumor growth.
Sci Transl Med, 11, 2019
6LA7
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BU of 6la7 by Molmil
Cryo-EM structure of echovirus 11 complexed with its uncoating receptor FcRn at pH 5.5
分子名称: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
著者Liu, S, Gao, F.G.
登録日2019-11-12
公開日2020-10-07
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6L2T
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BU of 6l2t by Molmil
African swine fever virus major capsid protein p72
分子名称: B646L,Major capsid protein
著者Wang, N, Rao, Z, Wang, X.
登録日2019-10-06
公開日2020-03-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Architecture of African swine fever virus and implications for viral assembly.
Science, 366, 2019
6NZH
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BU of 6nzh by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6O9A
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BU of 6o9a by Molmil
Crystal structure of MqnA complexed with 3-hydroxybenzoic acid
分子名称: 3-HYDROXYBENZOIC ACID, ACETATE ION, Chorismate dehydratase
著者Hicks, K.A, Mahanta, N, Naseem, S, Fedoseyenko, D, Begley, T.P, Ealick, S.E.
登録日2019-03-13
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.326 Å)
主引用文献Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase.
Biochemistry, 58, 2019
6LBO
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BU of 6lbo by Molmil
Cryo-EM structure of echovirus 11 empty particle at pH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Liu, S, Gao, F.G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LA3
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Cryo-EM structure of full echovirus 11 particle at pH 7.4
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Liu, S, Gao, F.G.
登録日2019-11-11
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LAO
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Cryo-EM structure of echovirus 11 complexed with its attaching receptor CD55 at pH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Liu, S, Gao, F.G.
登録日2019-11-12
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020
6LBQ
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Cryo-EM structure of echovirus 11 empty particle at pH 5.5
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Liu, S, Gao, F.G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular and structural basis of Echovirus 11 infection by using the dual-receptor system of CD55 and FcRn.
Chin.Sci.Bull., 2020

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