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BU of 8gcr by Molmil

HPV16 E6-E6AP-p53 complex
分子名称:	Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ...
著者	Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H.
登録日	2023-03-02
公開日	2024-03-06
実験手法	ELECTRON MICROSCOPY (3.38 Å)
主引用文献	Structure of the p53 degradation complex from HPV16. Nat Commun, 15, 2024

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BU of 5bjs by Molmil

Apo ctPRC2 in an autoinhibited state
分子名称:	Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2016-10-22
公開日	2017-06-14
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.189 Å)
主引用文献	Polycomb repressive complex 2 in an autoinhibited state. J. Biol. Chem., 292, 2017

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BU of 5vk3 by Molmil

Apo ctPRC2 with E840A and K852D mutations in Ezh2
分子名称:	Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12, Polycomb Protein EED, ZINC ION
著者	Bratkowski, M.A, Liu, X.
登録日	2017-04-20
公開日	2017-06-14
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.114 Å)
主引用文献	Polycomb repressive complex 2 in an autoinhibited state. J. Biol. Chem., 292, 2017

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BU of 5wf7 by Molmil

Chaetomium thermophilum Polycomb Repressive Complex 2 bound to GSK126
分子名称:	1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2017-07-11
公開日	2018-06-27
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018

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BU of 5wfd by Molmil

Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126
分子名称:	1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2017-07-11
公開日	2018-06-27
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.654 Å)
主引用文献	An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018

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BU of 5wh1 by Molmil

Apo form of the C-terminal region of human Transcription Factor IIB
分子名称:	SULFATE ION, Transcription initiation factor IIB
著者	Bratkowski, M.A, Liu, X.
登録日	2017-07-14
公開日	2017-11-29
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (3.39 Å)
主引用文献	Structural dissection of an interaction between transcription initiation and termination factors implicated in promoter-terminator cross-talk. J. Biol. Chem., 293, 2018

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BU of 5wfc by Molmil

Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343
分子名称:	Histone H3.1, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2017-07-11
公開日	2018-06-27
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.282 Å)
主引用文献	An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018

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BU of 5wg6 by Molmil

Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor
分子名称:	1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2017-07-13
公開日	2018-06-27
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (3.901 Å)
主引用文献	An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018

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BU of 8d0m by Molmil

Human CD38 ectodomain bound to a 78c-ADPR adduct
分子名称:	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Gu, W.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0i by Molmil

Human SARM1 bound to an NB-3 eADPR adduct
分子名称:	NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0c by Molmil

Human SARM1 TIR domain bound to NB-3-ADPR
分子名称:	NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.09 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0g by Molmil

Human SARM1 TIR domain bound to NB-3-ADPRP
分子名称:	NAD(+) hydrolase SARM1, [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.99 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0d by Molmil

Human SARM1 TIR domain bound to an NB-7-ADPR adduct
分子名称:	NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-[4-[3-[3-(4-chlorophenyl)propanoylamino]-4-methyl-1~{H}-pyrazol-5-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.96 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0h by Molmil

Human SARM1 TIR domain bound to NB-3-GDPR
分子名称:	NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.37 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0f by Molmil

Human SARM1 TIR domain bound to NB-2-ADPR
分子名称:	NAD(+) hydrolase SARM1, [[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]methyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.74 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0e by Molmil

Human SARM1 TIR domain bound to NB-7
分子名称:	3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide, NAD(+) hydrolase SARM1
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 8d0j by Molmil

Apo Human SARM1 TIR domain
分子名称:	NAD(+) hydrolase SARM1
著者	Bratkowski, M.A, Mathur, P.
登録日	2022-05-26
公開日	2022-09-21
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022

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BU of 5tqr by Molmil

ctPRC2 in an autoinhibited conformation bound to S-adenosylmethionine
分子名称:	Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ...
著者	Bratkowski, M.A, Liu, X.
登録日	2016-10-24
公開日	2017-06-14
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.571 Å)
主引用文献	Polycomb repressive complex 2 in an autoinhibited state. J. Biol. Chem., 292, 2017

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BU of 8sl1 by Molmil

Cryo-EM structure of PAPP-A2
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, CALCIUM ION, ...
著者	Judge, R.A, Stoll, V.S, Eaton, D, Hao, Q, Bratkowski, M.A.
登録日	2023-04-20
公開日	2023-11-08
最終更新日	2024-05-01
実験手法	ELECTRON MICROSCOPY (3.13 Å)
主引用文献	Cryo-EM structure of human PAPP-A2 and mechanism of substrate recognition. Commun Chem, 6, 2023

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