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PDB: 62 件
6CQE
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BU of 6cqe by Molmil
Crystal structure of HPK1 kinase domain S171A mutant
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
6CQF
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BU of 6cqf by Molmil
Crystal structure of HPK1 in complex an inhibitor G1858
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
8EEC
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Crystal structure of HPK1 citron-homology domain
分子名称: Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION
著者Wu, P, Lehoux, I, Wang, W.
登録日2022-09-06
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献HPK1 Citron Homology Domain Serves as a Scaffold to Promote Phosphorylation of SLP76
To Be Published
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
分子名称: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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BU of 7r9p by Molmil
Crystal structure of HPK1 in complex with compound 14
分子名称: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9T
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BU of 7r9t by Molmil
Crystal structure of HPK1 in complex with compound 17
分子名称: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9N
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BU of 7r9n by Molmil
Crystal structure of HPK1 in complex with GNE1858
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
3HHI
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BU of 3hhi by Molmil
Crystal Structure of Cathepsin B from T. brucei in complex with CA074
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ...
著者Wu, P, Kerr, I.D, Brinen, L.S.
登録日2009-05-15
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei
Plos Negl Trop Dis, 4, 2010
6VMJ
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Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
分子名称: CITRIC ACID, Complement factor D, Fab20D12 Light Chain, ...
著者Wu, P, Harris, S.F, Eigenbrot, C.
登録日2020-01-28
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
6VMK
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Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
分子名称: Complement factor D, Fab Y49R heavy chain, Fab Y49R light chain, ...
著者Wu, P, Harris, S.F, Eigenbrot, C.
登録日2020-01-28
公開日2021-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
6CQD
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BU of 6cqd by Molmil
Crystal structure of HPK1 in complex with ATP analogue (AMPPNP)
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W.
登録日2018-03-14
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
5WQ1
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BU of 5wq1 by Molmil
Solution Structure of the first stem-loop of Escherichia coli DsrA RNA
分子名称: DsrA-SL1
著者Wu, P, Wu, J, Shi, Y.
登録日2016-11-22
公開日2017-07-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The important conformational plasticity of DsrA sRNA for adapting multiple target regulation
Nucleic Acids Res., 45, 2017
1NGN
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BU of 1ngn by Molmil
Mismatch repair in methylated DNA. Structure of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
分子名称: methyl-CpG binding protein MBD4
著者Wu, P, Qiu, C, Sohail, A, Zhang, X, Bhagwat, A.S, Cheng, X.
登録日2002-12-17
公開日2003-03-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mismatch repair in methylated DNA. Structure and activity of the mismatch-specific thymine glycosylase domain of methyl-CpG-binding protein MBD4
J.Biol.Chem., 278, 2003
7VME
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BU of 7vme by Molmil
Crystal structure of a hydrolase in apo form 2
分子名称: CALCIUM ION, hydrolase
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of a hydrolase in apo form 2
to be published
7VPA
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BU of 7vpa by Molmil
Crystal structure of Ple629 from marine microbial consortium
分子名称: hydrolase Ple629
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-15
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VMD
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BU of 7vmd by Molmil
Crystal structure of a hydrolases Ple628 from marine microbial consortium
分子名称: CALCIUM ION, hydrolase Ple628
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7VPB
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BU of 7vpb by Molmil
Crystal structure of a novel hydrolase in apo form
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-15
公開日2022-10-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural insight and engineering of a plastic degrading hydrolase Ple629.
Biochem.Biophys.Res.Commun., 626, 2022
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
分子名称: Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
登録日2011-07-28
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
4QYH
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BU of 4qyh by Molmil
CHK1 kinase domain in complex with diazacarbazole GNE-783
分子名称: 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
4QYG
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CHK1 kinase domain in complex with diazacarbazole compound 14
分子名称: 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
5YYS
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BU of 5yys by Molmil
Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis
分子名称: L-fucokinase, L-fucose-1-P guanylyltransferase
著者Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L.
登録日2017-12-11
公開日2018-12-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis.
Protein Cell, 10, 2019
4RVM
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CHK1 kinase domain with diazacarbazole compound 19
分子名称: 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Gazzard, L, Blackwood, E, Burton, B, Chapman, K, Chen, H, Crackett, P, Drobnick, J, Ellwood, C, Epler, J, Flagella, M, Goodacre, S, Halladay, J, Hunt, H, Kintz, S, Lyssikatos, J, MacLeod, C, Ramiscal, S, Schmidt, S, Seward, E, Wiesmann, C, Williams, K, Wu, P, Yee, S, Yen, I, Malek, S.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVK
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CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
分子名称: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RVL
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CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
分子名称: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4U3Z
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APO MAP4K4 T181E Phosphomimetic Mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-07-23
公開日2016-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
to be published

 

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