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5CQS
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BU of 5cqs by Molmil
Dimerization of Elp1 is essential for Elongator complex assembly
分子名称: Elongator complex protein 1
著者Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y.
登録日2015-07-22
公開日2015-08-19
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
5UZF
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BU of 5uzf by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNA structure
分子名称: DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*AP*AP*AP*AP*TP*CP*G)-3')
著者Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
登録日2017-02-26
公開日2017-04-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
5UZD
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Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A2-DNA structure
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*GP*AP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*AP*TP*CP*GP*AP*TP*GP*C)-3')
著者Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
登録日2017-02-26
公開日2017-04-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
5UZI
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BU of 5uzi by Molmil
Insights into Watson-Crick/Hoogsteen Breathing Dynamics and Damage Repair from the Solution Structure and Dynamic Ensemble of DNA Duplexes containing m1A - A6-DNAm1A16 structure
分子名称: DNA (5'-D(*CP*GP*AP*TP*TP*TP*TP*TP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*(M1A)P*AP*AP*AP*AP*AP*TP*CP*G)-3')
著者Sathyamoorthy, B, Shi, H, Xue, Y, Al-Hashimi, H.M.
登録日2017-02-26
公開日2017-04-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into Watson-Crick/Hoogsteen breathing dynamics and damage repair from the solution structure and dynamic ensemble of DNA duplexes containing m1A.
Nucleic Acids Res., 45, 2017
8DQL
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BU of 8dql by Molmil
CryoEM structure of IglD
分子名称: Secretion system protein
著者Liu, X, Clemens, D, Lee, B, Yang, X, Zhou, H, Horwitz, M.
登録日2022-07-19
公開日2022-08-17
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Atomic Structure of IglD Demonstrates Its Role as a Component of the Baseplate Complex of the Francisella Type VI Secretion System.
Mbio, 13, 2022
3SV1
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BU of 3sv1 by Molmil
Crystal structure of APP peptide bound rat Mint2 PARM
分子名称: Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-12
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
3SUZ
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Crystal structure of Rat Mint2 PPC
分子名称: Amyloid beta A4 precursor protein-binding family A member 2
著者Shen, Y, Long, J, Yan, X, Xie, X.
登録日2011-07-11
公開日2012-07-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Open-closed motion of Mint2 regulates APP metabolism
J Mol Cell Biol, 5, 2013
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24916625 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
5W06
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BU of 5w06 by Molmil
HUMAN TISSUE FACTOR IN COMPLEX WITH ANTIBODY M1587
分子名称: GLYCEROL, M1587 FAB HEAVY CHAIN, M1587 FAB LIGHT CHAIN, ...
著者Teplyakov, A, Obmolova, G, Malia, T.J, Gilliland, G.L.
登録日2017-05-30
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into humanization of anti-tissue factor antibody 10H10.
MAbs, 10, 2018
5W05
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ANTI-TISSUE FACTOR ANTIBODY M59, A HUMANIZED VERSION OF 10H10
分子名称: DI(HYDROXYETHYL)ETHER, M59 FAB HEAVY CHAIN, M59 FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T.J, Gilliland, G.L.
登録日2017-05-30
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural insights into humanization of anti-tissue factor antibody 10H10.
MAbs, 10, 2018
4QKN
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BU of 4qkn by Molmil
Crystal structure of FTO bound to a selective inhibitor
分子名称: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ...
著者Yang, C.-G, Huang, Y, Gan, J.
登録日2014-06-07
公開日2014-12-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
7LQ1
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BU of 7lq1 by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28
分子名称: CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Lesburg, C.A, Augustin, M.
登録日2021-02-12
公開日2022-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Discovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Bioorg.Med.Chem.Lett., 42, 2021
3U3I
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A RNA binding protein from Crimean-Congo hemorrhagic fever virus
分子名称: Nucleocapsid protein
著者Guo, Y, Wang, W.M, Ji, W, Deng, M, Sun, Y.N, Lou, Z.Y, Rao, Z.H.
登録日2011-10-06
公開日2012-03-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Crimean-Congo hemorrhagic fever virus nucleoprotein reveals endonuclease activity in bunyaviruses
Proc.Natl.Acad.Sci.USA, 109, 2012
5XM2
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BU of 5xm2 by Molmil
Human N-terminal domain of FACT complex subunit SPT16
分子名称: DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL
著者Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D.
登録日2017-05-12
公開日2018-05-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
8J61
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The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05065274 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28041458 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5X
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The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09192252 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
2B23
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Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日2005-09-16
公開日2006-09-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2ESW
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BU of 2esw by Molmil
Atomic structure of the N-terminal SH3 domain of mouse beta PIX,p21-activated kinase (PAK)-interacting exchange factor
分子名称: CHLORIDE ION, MERCURY (II) ION, Rho guanine nucleotide exchange factor 7
著者Rao, Z.
登録日2005-10-27
公開日2006-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structure of the N-terminal SH3 domain of mouse betaPIX, p21-activated kinase-interacting exchange factor
Biochem.Biophys.Res.Commun., 339, 2006
8T0P
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BU of 8t0p by Molmil
Structure of Cse4 bound to Ame1 and Okp1
分子名称: Histone H3-like centromeric protein CSE4, Inner kinetochore subunit AME1, Inner kinetochore subunit OKP1, ...
著者Deng, S, Harrison, S.C.
登録日2023-06-01
公開日2023-09-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Recognition of centromere-specific histone Cse4 by the inner kinetochore Okp1-Ame1 complex.
Embo Rep., 24, 2023
1FWP
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BU of 1fwp by Molmil
CHEY-BINDING DOMAIN OF CHEA (RESIDUES 159-227), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CHEA
著者Mcevoy, M.M, Dahlquist, F.W.
登録日1996-02-06
公開日1996-07-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and dynamics of a CheY-binding domain of the chemotaxis kinase CheA determined by nuclear magnetic resonance spectroscopy.
Biochemistry, 35, 1996
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
分子名称: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
登録日2020-09-04
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
3GJ9
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BU of 3gj9 by Molmil
crystal structure of TIP-1 in complex with c-terminal of Kir2.3
分子名称: C-terminal peptide from Inward rectifier potassium channel 4, CHLORIDE ION, Tax1-binding protein 3, ...
著者Shen, Y.
登録日2009-03-08
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular mechanism of inward rectifier potassium channel 2.3 regulation by tax-interacting protein-1
J.Mol.Biol., 392, 2009
3UIT
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BU of 3uit by Molmil
Overall structure of Patj/Pals1/Mals complex
分子名称: ACETATE ION, InaD-like protein, MAGUK p55 subfamily member 5, ...
著者Zhang, J, Yang, X, Long, J, Shen, Y.
登録日2011-11-06
公開日2012-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of an L27 domain heterotrimer from cell polarity complex Patj/Pals1/Mals2 reveals mutually independent L27 domain assembly mode
J.Biol.Chem., 287, 2012

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