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5V9U
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Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
3Q7J
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BU of 3q7j by Molmil
Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development
分子名称: L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide, Tricorn protease-interacting factor F3, ZINC ION
著者Su, J, Wang, Q, Feng, J, Zhang, C, Zhu, D, We, T, Xu, W, Gu, L.
登録日2011-01-05
公開日2011-07-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Engineered Thermoplasma acidophilum factor F3 mimics human aminopeptidase N (APN) as a target for anticancer drug development
Bioorg.Med.Chem., 19, 2011
4R3Q
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BU of 4r3q by Molmil
Crystal structure of SYCE3
分子名称: Synaptonemal complex central element protein 3
著者Lu, J, Feng, J, Zhou, W, Yang, X, Shen, Y.
登録日2014-08-17
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structural insight into the central element assembly of the synaptonemal complex
Sci Rep, 4, 2014
6B0V
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BU of 6b0v by Molmil
Crystal Structure of small molecule ARS-107 covalently bound to K-Ras G12C
分子名称: 1-[3-(4-{[(4,5-dichloro-2-hydroxyphenyl)amino]acetyl}piperazin-1-yl)azetidin-1-yl]propan-1-one, CALCIUM ION, GTPase KRas, ...
著者Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P.
登録日2017-09-15
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018
5F2E
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BU of 5f2e by Molmil
Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C
分子名称: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ...
著者Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y.
登録日2015-12-01
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
6B0Y
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BU of 6b0y by Molmil
Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C
分子名称: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Hansen, R, Peters, U, Babbar, A, Chen, Y, Feng, J, Janes, M.R, Li, L.-S, Ren, P, Liu, Y, Zarrinkar, P.P.
登録日2017-09-15
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The reactivity-driven biochemical mechanism of covalent KRASG12Cinhibitors.
Nat. Struct. Mol. Biol., 25, 2018
4I23
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BU of 4i23 by Molmil
Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked)
分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I21
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BU of 4i21 by Molmil
Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide
分子名称: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I20
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BU of 4i20 by Molmil
Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain
分子名称: Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I24
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BU of 4i24 by Molmil
Structure of T790M EGFR kinase domain co-crystallized with dacomitinib
分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I1Z
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BU of 4i1z by Molmil
Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M
分子名称: Epidermal growth factor receptor
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I22
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BU of 4i22 by Molmil
Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib
分子名称: Epidermal growth factor receptor, Gefitinib, SULFATE ION
著者Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
登録日2012-11-21
公開日2013-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
8TZU
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BU of 8tzu by Molmil
OC43 S1b domain in complex with WNb 293 and WNb 317
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Pymm, P, Feng, J, Tham, W.H.
登録日2023-08-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献OC43 S1b domain in complex with WNb 293 and WNb 317
To Be Published
8W7M
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BU of 8w7m by Molmil
Yeast replisome in state V
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (71-mer), ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-30
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8W7S
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BU of 8w7s by Molmil
Yeast replisome in state IV
分子名称: Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D.
登録日2023-08-31
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (7.39 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG8
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BU of 8kg8 by Molmil
Yeast replisome in state II
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (4.23 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG9
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BU of 8kg9 by Molmil
Yeast replisome in state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (4.52 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG6
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BU of 8kg6 by Molmil
Yeast replisome in state I
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
著者Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
登録日2023-08-17
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
1XPI
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BU of 1xpi by Molmil
Crystal structure of the catalytic domain of E. coli pseudouridine synthase RluC
分子名称: ACETIC ACID, Ribosomal large subunit pseudouridine synthase C
著者Del Campo, M, Ofengand, J, Fenna, R, Malhotra, A.
登録日2004-10-08
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Possible RNA binding domains of RluC and RluD
To be Published
1SI7
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BU of 1si7 by Molmil
Structure of E. coli tRNA psi 13 pseudouridine synthase TruD
分子名称: tRNA pseudouridine synthase D
著者Kaya, Y, Del Campo, M, Ofengand, J, Malhotra, A.
登録日2004-02-27
公開日2004-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of TruD, a novel pseudouridine synthase with a new protein fold
J.Biol.Chem., 279, 2004
1QYU
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Structure of the catalytic domain of 23S rRNA pseudouridine synthase RluD
分子名称: Ribosomal large subunit pseudouridine synthase D
著者Del Campo, M, Ofengand, J, Malhotra, A.
登録日2003-09-12
公開日2003-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the catalytic domain of RluD, the only rRNA pseudouridine synthase required for normal growth of Escherichia coli
RNA, 10, 2004
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 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Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6XE1
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BU of 6xe1 by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a potent neutralizing antibody, CV30 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV30 Fab Heavy chain, CV30 Fab Kappa chain, ...
著者Hurlburt, N.K, Pancera, M.
登録日2020-06-11
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for potent neutralization of SARS-CoV-2 and role of antibody affinity maturation.
Nat Commun, 11, 2020
6KTO
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BU of 6kto by Molmil
Crystal structure of human SHLD3-C-REV7-O-REV7-SHLD2 complex
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 2, Shieldin complex subunit 3
著者Liang, L, Yin, Y.
登録日2019-08-28
公開日2020-04-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.4497633 Å)
主引用文献Molecular basis for assembly of the shieldin complex and its implications for NHEJ.
Nat Commun, 11, 2020
8FY7
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SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023

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