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4TV3
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BU of 4tv3 by Molmil
Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design
分子名称: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S.
登録日2014-06-25
公開日2014-08-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
3S5J
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BU of 3s5j by Molmil
2.0A Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2011-05-23
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.02 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
9BPF
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BU of 9bpf by Molmil
Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-07
公開日2024-08-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024
9BOO
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BU of 9boo by Molmil
Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Chen, P, Arutyunova, E, Lemieux, M.J.
登録日2024-05-05
公開日2024-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024
1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
分子名称: CHK1 CHECKPOINT KINASE, SULFATE ION
著者Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
登録日2001-03-22
公開日2001-04-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
6OQ7
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BU of 6oq7 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3
分子名称: E3, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ8
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BU of 6oq8 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
分子名称: 7F, Toxin B
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ6
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BU of 6oq6 by Molmil
Structure of the pore forming fragment of Clostridium difficile toxin B in complex with VHH 5D
分子名称: 5D, Toxin B
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
5L2I
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BU of 5l2i by Molmil
The X-ray co-crystal structure of human CDK6 and Palbociclib.
分子名称: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-01
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L2W
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BU of 5l2w by Molmil
The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib.
分子名称: 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ...
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L2T
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BU of 5l2t by Molmil
The X-ray co-crystal structure of human CDK6 and Ribociclib.
分子名称: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
5L2S
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BU of 5l2s by Molmil
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
分子名称: Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
7CI1
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BU of 7ci1 by Molmil
Crystal structure of AcrVA2
分子名称: 1,2-ETHANEDIOL, AcrVA2, SPERMIDINE
著者Chen, P, Cheng, Z, Wang, Y.
登録日2020-07-07
公開日2020-10-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
7CI2
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BU of 7ci2 by Molmil
Crystal structure of AcrVA2 in complex with partial MbCpf1
分子名称: AcrVA2, MbCpf1
著者Chen, P, Cheng, Z, Wang, Y.
登録日2020-07-07
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
1GRC
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BU of 1grc by Molmil
CRYSTAL STRUCTURE OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE FROM ESCHERICHIA COLI AT 3.0 ANGSTROMS RESOLUTION: A TARGET ENZYME FOR CHEMOTHERAPY
分子名称: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION
著者Chen, P, Wilson, I.A.
登録日1992-07-21
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of glycinamide ribonucleotide transformylase from Escherichia coli at 3.0 A resolution. A target enzyme for chemotherapy.
J.Mol.Biol., 227, 1992
1PI2
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BU of 1pi2 by Molmil
REACTIVE SITES OF AN ANTICARCINOGENIC BOWMAN-BIRK PROTEINASE INHIBITOR ARE SIMILAR TO OTHER TRYPSIN INHIBITORS
分子名称: BOWMAN-BIRK INHIBITOR (PI-II)
著者Chen, P, Rose, J, Wang, B.C.
登録日1991-03-26
公開日1992-04-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reactive sites of an anticarcinogenic Bowman-Birk proteinase inhibitor are similar to other trypsin inhibitors.
J.Biol.Chem., 267, 1992
4LZO
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BU of 4lzo by Molmil
Crystal structure of human PRS1 A87T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.31 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
4LYG
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BU of 4lyg by Molmil
Crystal structure of human PRS1 E43T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 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
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
4LZN
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BU of 4lzn by Molmil
Crystal structure of human PRS1 D65N mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-07-31
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.14 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
4M0P
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BU of 4m0p by Molmil
Crystal structure of human PRS1 M115T mutant
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2013-08-01
公開日2015-02-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 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
4TUU
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BU of 4tuu by Molmil
Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S.
登録日2014-06-24
公開日2014-08-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design.
Protein Sci., 23, 2014
6OQ5
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BU of 6oq5 by Molmil
Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs
分子名称: 5D, 7F, E3, ...
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.87 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
著者Chen, P, Lam, K, Jin, R.
登録日2017-12-28
公開日2018-05-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
7ML7
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Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection
分子名称: Chondroitin sulfate proteoglycan 4, Toxin B, ZINC ION
著者Chen, P, Jin, R.
登録日2021-04-27
公開日2021-06-09
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structural basis for CSPG4 as a receptor for TcdB and a therapeutic target in Clostridioides difficile infection.
Nat Commun, 12, 2021

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