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2YHV
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BU of 2yhv by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-06
公開日2011-05-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
2YJS
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BU of 2yjs by Molmil
Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
分子名称: ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-05-23
公開日2012-06-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of C1156Y Mutant Anaplastic Lymphoma Kinase
To be Published
5AAC
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Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAA
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BU of 5aaa by Molmil
Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AAB
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BU of 5aab by Molmil
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5WSU
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BU of 5wsu by Molmil
Crystal structure of Myosin VIIa IQ5-SAH in complex with apo-CaM
分子名称: Calmodulin, Unconventional myosin-VIIa
著者Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
登録日2016-12-08
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WSV
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BU of 5wsv by Molmil
Crystal structure of Myosin VIIa IQ5 in complex with Ca2+-CaM
分子名称: CALCIUM ION, Calmodulin, SULFATE ION, ...
著者Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
登録日2016-12-08
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WST
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BU of 5wst by Molmil
Crystal structure of Myo7a SAH
分子名称: Unconventional myosin-VIIa
著者Li, J, Chen, Y, Deng, Y, Lu, Q, Zhang, M.
登録日2016-12-08
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
7VTR
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BU of 7vtr by Molmil
3-ketoacyl-CoA thiolase Tfu_0875
分子名称: Thiolase
著者Liu, L.X, Zhou, S.H, Deng, Y.
登録日2021-10-30
公開日2022-11-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Rational Design of the Substrate Tunnel of beta-Ketothiolase Reveals a Local Cationic Domain Modulated Rule that Improves the Efficiency of Claisen Condensation
Acs Catalysis, 13, 2023
7W0J
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BU of 7w0j by Molmil
Acyl-CoA dehydrogenase, Tfu_1647
分子名称: Acyl-CoA dehydrogenase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Liu, L.X, Zhou, S.H, Deng, Y.
登録日2021-11-18
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structure of an Acyl-CoA dehydrogenase Tfu_1647
To Be Published
7KD7
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BU of 7kd7 by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMINO GROUP, CARBOXYMETHYL COENZYME *A, ...
著者Deng, S, Marmorstein, R.
登録日2020-10-08
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
7KPU
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BU of 7kpu by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue with a C-3 linker
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL GROUP, AMINO GROUP, ...
著者Deng, S, Marmorstein, R.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
2NRN
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BU of 2nrn by Molmil
Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant
分子名称: General control protein GCN4, PHOSPHATE ION
著者Liu, J, Lu, M.
登録日2006-11-02
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant.
Protein Sci., 16, 2007
3CK4
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BU of 3ck4 by Molmil
A heterospecific leucine zipper tetramer
分子名称: GCN4 leucine zipper, MAGNESIUM ION
著者Liu, J.
登録日2008-03-14
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
3CRP
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BU of 3crp by Molmil
A heterospecific leucine zipper tetramer
分子名称: GCN4 leucine zipper, SODIUM ION
著者Liu, J.
登録日2008-04-07
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
6DAM
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BU of 6dam by Molmil
Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G
分子名称: LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ...
著者Deng, Y, Ro, S.Y, Rosenzweig, A.C.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
7EN0
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BU of 7en0 by Molmil
Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves
分子名称: DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE
著者Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y.
登録日2021-04-15
公開日2021-05-19
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
分子名称: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
著者Fischmann, T.O, Hruza, A.W.
登録日2013-11-08
公開日2013-11-27
最終更新日2014-01-08
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
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, Ab23-Fab-Heavy Chain, ...
著者Zhu, Q, Wang, G, Xiao, J.
登録日2020-04-24
公開日2020-06-10
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
8ZC2
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BU of 8zc2 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (7.82 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike
To be published
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-03-26
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
4TU3
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BU of 4tu3 by Molmil
Crystal structure of yeast Sac1/Vps74 complex
分子名称: Phosphoinositide phosphatase SAC1, Vacuolar protein sorting-associated protein 74
著者Cai, Y, Horenkamp, F.A, Reinisch, K.R.
登録日2014-06-23
公開日2014-08-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Sac1-Vps74 structure reveals a mechanism to terminate phosphoinositide signaling in the Golgi apparatus.
J.Cell Biol., 206, 2014
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
4WLB
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BU of 4wlb by Molmil
Crystal structure of RORc in complex with a partial inverse agonist compound
分子名称: L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ...
著者Boenig, G, Hymowitz, S.G, Kiefer, J.R.
登録日2014-10-07
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014

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