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8I64
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BU of 8i64 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I68
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BU of 8i68 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
分子名称: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
4P69
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BU of 4p69 by Molmil
Acek (D477A) ICDH complex
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ...
著者Jimin, Z, Nan, W, Shu, W, Zongchao, J.
登録日2014-03-22
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The phosphatase mechanism of bifunctional kinase/phosphatase AceK.
Chem. Commun. (Camb.), 50, 2014
7E56
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BU of 7e56 by Molmil
The mutant crystal structure of endo-polygalacturonase (T316C/G344C) from Talaromyces leycettanus JCM 12802
分子名称: Endo-polygalacturonase
著者Tu, T, Luo, H, Yao, B.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cysteine Engineering of an Endo-polygalacturonase from Talaromyces leycettanus JCM 12802 to Improve Its Thermostability.
J.Agric.Food Chem., 69, 2021
7DRG
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BU of 7drg by Molmil
Pseudomonas aeruginosa T6SS protein PA0821
分子名称: PA0821
著者She, Z.
登録日2020-12-28
公開日2021-06-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Pseudomonas aeruginosa PAAR2 cluster encodes a putative VRR-NUC domain-containing effector.
Febs J., 288, 2021
7XUE
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BU of 7xue by Molmil
Cryo-EM structure of HK022 putRNA-associated E.coli RNA polymerase elongation complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Hwang, S.H, Kang, J.Y.
登録日2022-05-18
公開日2022-08-10
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis of transcriptional regulation by a nascent RNA element, HK022 putRNA.
Nat Commun, 13, 2022
7MSL
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BU of 7msl by Molmil
Structure of anti-CRISPR AcrIIC4 from Haemophilus parainfluenzae
分子名称: AcrIIC4, IODIDE ION
著者Pan, C, Maxwell, K.L, Moraes, T.F.
登録日2021-05-11
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Mechanistic Insight into CRISPR-Cas9 Inhibition by Anti-CRISPR Protein AcrIIC4 Hpa.
J.Mol.Biol., 434, 2022
4DS7
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BU of 4ds7 by Molmil
Crystal structure of yeast calmodulin bound to the C-terminal fragment of spindle pole body protein Spc110
分子名称: Calmodulin, GLYCEROL, STRONTIUM ION, ...
著者Klenchin, V.A, Rayment, I.
登録日2012-02-18
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The molecular architecture of the yeast spindle pole body core determined by Bayesian integrative modeling.
Mol.Biol.Cell, 28, 2017
8YKI
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BU of 8yki by Molmil
FGFR-1 in complex with ligand tasurgratinib
分子名称: CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib
著者Ikemori-Kawada, M, Watanabe Miyano, S.
登録日2024-03-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion.
Anticancer Res., 44, 2024
3ROV
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BU of 3rov by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
登録日2011-04-26
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2019-05-15
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
登録日2009-09-10
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
3P2X
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BU of 3p2x by Molmil
Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A.
登録日2010-10-04
公開日2011-11-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
To be Published
3P33
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BU of 3p33 by Molmil
Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A.
登録日2010-10-04
公開日2011-11-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity
To be Published
3V19
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BU of 3v19 by Molmil
Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A.
登録日2011-12-09
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health
To be Published
3V1G
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BU of 3v1g by Molmil
Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A.
登録日2011-12-09
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health
To be Published
4UWY
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BU of 4uwy by Molmil
FGFR1 Apo structure
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1
著者Thiyagarajan, N, Bunney, T, Katan, M.
登録日2014-08-15
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study
Ebiomedicine, 2, 2015
3BXQ
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BU of 3bxq by Molmil
The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition
分子名称: ZINC ION, insulin A chain, insulin B chain
著者Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A.
登録日2008-01-14
公開日2008-05-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition.
J.Biol.Chem., 283, 2008
1XW7
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BU of 1xw7 by Molmil
Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama
分子名称: CHLORIDE ION, Insulin, PHENOL, ...
著者Wan, Z.L, Huang, K, Xu, B, Chu, Y.C, Hu, S.Q, Katsoyannis, P.G, Weiss, M.A.
登録日2004-10-29
公開日2005-04-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Diabetes-associated mutations in human insulin: crystal structure and photo-cross-linking studies of a-chain variant insulin wakayama
Biochemistry, 44, 2005
6AX1
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BU of 6ax1 by Molmil
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
分子名称: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate, GLYCEROL, Monoglyceride lipase
著者Pandit, J.
登録日2017-09-06
公開日2017-12-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Azetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.
J. Med. Chem., 60, 2017
3L13
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BU of 3l13 by Molmil
Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
分子名称: 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
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
3L17
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BU of 3l17 by Molmil
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
分子名称: 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
3FQ9
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BU of 3fq9 by Molmil
Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications
分子名称: Insulin, ZINC ION
著者Zhao, M, Wan, Z.L, Whittaker, L, Xu, B, Phillips, N, Katsoyannis, P, Whittaker, J, Weiss, M.A.
登録日2009-01-07
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design of an insulin analog with enhanced receptor binding selectivity: rationale, structure, and therapeutic implications.
J.Biol.Chem., 284, 2009
3L16
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BU of 3l16 by Molmil
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
分子名称: 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
3GKY
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BU of 3gky by Molmil
The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A.
登録日2009-03-11
公開日2009-03-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY.
J.Biol.Chem., 284, 2009

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