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7ACF
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BU of 7acf by Molmil
CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
分子名称: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D.
登録日2020-09-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
5B5R
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BU of 5b5r by Molmil
Crystal structure of GSDMA3
分子名称: Gasdermin-A3
著者Ding, J, Shao, F.
登録日2016-05-14
公開日2016-06-15
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Pore-forming activity and structural autoinhibition of the gasdermin family.
Nature, 535, 2016
4M0U
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BU of 4m0u by Molmil
crystal structure of human PRS1 Q133P mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-08-02
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
8YKY
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BU of 8yky by Molmil
Structure of human class T GPCR TAS2R14-Ggustducin complex with agonist 28.1
分子名称: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, G alpha gustducin protein, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-03-05
公開日2024-07-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
5GUF
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BU of 5guf by Molmil
Structural insight into an intramembrane enzyme for archaeal membrane lipids biosynthesis
分子名称: CDP-archaeol synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, W, Ren, S.
登録日2016-08-29
公開日2017-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structural and mechanistic insights into the biosynthesis of CDP-archaeol in membranes.
Cell Res., 27, 2017
6GJ5
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BU of 6gj5 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15
分子名称: (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GJ7
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BU of 6gj7 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
分子名称: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GJ6
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BU of 6gj6 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
分子名称: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GJ8
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BU of 6gj8 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
分子名称: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
著者Kessler, D, Mcconnell, D.M, Mantoulidis, A.
登録日2018-05-16
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
5JLJ
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BU of 5jlj by Molmil
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
分子名称: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ...
著者Fung, H.Y, Chook, Y.M.
登録日2016-04-27
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
7L5E
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BU of 7l5e by Molmil
Crystal Structure of KPT-330 bound to CRM1 (537-DLTVK-541 to GLCEQ)
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M, Chook, Y.M.
登録日2020-12-21
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-04-27
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
3M0K
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BU of 3m0k by Molmil
Structure of oxaloacetate acetylhydrolase in complex with the product oxalate
分子名称: CALCIUM ION, MANGANESE (II) ION, OXALATE ION, ...
著者Herzberg, O, Chen, C.
登録日2010-03-03
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
7BTF
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BU of 7btf by Molmil
SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日2020-04-01
公開日2020-04-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
3M0J
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BU of 3m0j by Molmil
Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate
分子名称: 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ...
著者Herzberg, O, Chen, C.
登録日2010-03-03
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
3LYE
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BU of 3lye by Molmil
Crystal structure of oxaloacetate acetylhydrolase
分子名称: CALCIUM ION, Oxaloacetate acetyl hydrolase
著者Herzberg, O, Chen, C.
登録日2010-02-26
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
5T8G
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BU of 5t8g by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-oxo-4-((thiophene-2-carbonyl)oxy)butanoic acid
分子名称: (3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchetiini, J.C.
登録日2016-09-07
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
8UH6
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BU of 8uh6 by Molmil
Degrader-induced complex between PTPN2 and CRBN-DDB1
分子名称: (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, DNA damage-binding protein 1, Protein cereblon, ...
著者Catalano, C, Bratkowski, M, Scapin, G, Hao, Q.
登録日2023-10-06
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
8U0H
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BU of 8u0h by Molmil
Crystal structure of PTPN2 with a PROTAC
分子名称: (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ...
著者Jain, R, Longenecker, K, Qiu, W.
登録日2023-08-29
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
8XQP
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BU of 8xqp by Molmil
Structure of human class T GPCR TAS2R14-Gustducin complex with Aristolochic acid A.
分子名称: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQN
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BU of 8xqn by Molmil
Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A.
分子名称: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQL
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BU of 8xql by Molmil
Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A.
分子名称: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQT
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BU of 8xqt by Molmil
Structure of human class T GPCR TAS2R14-Gi complex.
分子名称: CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hu, X.L, Pei, Y, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQR
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BU of 8xqr by Molmil
Structure 2 of human class T GPCR TAS2R14-miniGs/gust complex with Flufenamic acid.
分子名称: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-01-05
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024

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