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7WS3
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BU of 7ws3 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS5
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BU of 7ws5 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS1
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BU of 7ws1 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
5HEC
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BU of 5hec by Molmil
CgT structure in dimer
分子名称: Putative glycosyltransferase (GalT1)
著者Zhang, H, Wu, H.
登録日2016-01-05
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献New Helical Binding Domain Mediates a Glycosyltransferase Activity of a Bifunctional Protein.
J.Biol.Chem., 291, 2016
6UJG
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BU of 6ujg by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: Glutaminase kidney isoform, mitochondrial, N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-03
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6UME
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BU of 6ume by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2021-10-15
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
6UMD
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BU of 6umd by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-(pyridin-3-yl)-N-(5-{4-[(5-{[(pyridin-3-yl)acetyl]amino}-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6UMC
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BU of 6umc by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{5-[(3R)-3-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6ULJ
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BU of 6ulj by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-08
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
6UMF
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BU of 6umf by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: Glutaminase kidney isoform, mitochondrial, N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-09
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
6UK6
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BU of 6uk6 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00018
分子名称: 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00018
To Be Published
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
6ULA
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BU of 6ula by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
分子名称: 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2019-10-07
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00030
To Be Published
6UJM
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BU of 6ujm by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00013
分子名称: Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
著者Huang, Q, Cerione, R.A.
登録日2019-10-03
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00013
To Be Published
5I94
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BU of 5i94 by Molmil
Crystal structure of human glutaminase C in complex with the inhibitor UPGL-00019
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.
登録日2016-02-19
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.983 Å)
主引用文献Design and evaluation of novel glutaminase inhibitors.
Bioorg.Med.Chem., 24, 2016
6UL9
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BU of 6ul9 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00023
分子名称: 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q.Q, Cerione, R.A.
登録日2019-10-07
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
著者Gao, M, Cai, W, Chunwa, C.
登録日2017-11-01
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
6KI7
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BU of 6ki7 by Molmil
Pyrophosphatase mutant K30R from Acinetobacter baumannii
分子名称: Inorganic pyrophosphatase
著者Su, J.
登録日2019-07-17
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6K21
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BU of 6k21 by Molmil
Pyrophosphatase from Acinetobacter baumannii
分子名称: Inorganic pyrophosphatase, MAGNESIUM ION, SODIUM ION
著者Su, J.
登録日2019-05-13
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6K27
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BU of 6k27 by Molmil
Pyrophosphatase with PPi from Acinetobacter baumannii
分子名称: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
著者Su, J.
登録日2019-05-13
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
6KI8
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BU of 6ki8 by Molmil
Pyrophosphatase mutant K149R from Acinetobacter baumannii
分子名称: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
著者Su, J.
登録日2019-07-17
公開日2019-10-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
7V6K
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BU of 7v6k by Molmil
Crystal structure of Sortase A from Streptococcus pyogenes in complex with ML346
分子名称: 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, MAGNESIUM ION, Sortase
著者Yang, C.G, Gan, J.
登録日2021-08-20
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Covalent sortase A inhibitor ML346 prevents Staphylococcus aureus infection of Galleria mellonella.
Rsc Med Chem, 13, 2022
4PHR
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BU of 4phr by Molmil
Domain of unknown function 1792 (DUF1792) with manganese
分子名称: ACETATE ION, MANGANESE (II) ION, Putative glycosyltransferase (GalT1), ...
著者Zhang, H, Wu, H.
登録日2014-05-06
公開日2014-08-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献The highly conserved domain of unknown function 1792 has a distinct glycosyltransferase fold.
Nat Commun, 5, 2014
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
分子名称: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
著者Niu, L.
登録日2021-06-30
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022

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