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3TCX
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BU of 3tcx by Molmil
Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity aL Integrin I Domain of Native C-Terminal Helix Conformation
分子名称: Integrin alpha-L, Intercellular adhesion molecule 1, MAGNESIUM ION
著者Kang, S, Kim, C.U, Gu, X, Owens, R.M, van Rijn, S.J, Boonyaleepun, V, Mao, Y, Springer, T.A, Jin, M.M.
登録日2011-08-09
公開日2011-08-31
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity L Integrin I Domain of Native C-Terminal Helix Conformation
To be Published
7CR5
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BU of 7cr5 by Molmil
Complex structure of a human monoclonal antibody with SARS-CoV-2 nucleocapsid protein NTD
分子名称: Nucleoprotein, ZINC ION, monoclonal antibody chain H, ...
著者Chen, S, Kang, S.
登録日2020-08-12
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A SARS-CoV-2 antibody curbs viral nucleocapsid protein-induced complement hyperactivation.
Nat Commun, 12, 2021
6M3M
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BU of 6m3m by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein N-terminal RNA binding domain
分子名称: Nucleoprotein
著者Chen, S, Kang, S.
登録日2020-03-04
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of SARS-CoV-2 nucleocapsid protein RNA binding domain reveals potential unique drug targeting sites.
Acta Pharm Sin B, 10, 2020
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C7C
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BU of 7c7c by Molmil
Crystal structure of human TRAP1 with SJT104
分子名称: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C04
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BU of 7c04 by Molmil
Crystal structure of human Trap1 with DN203492
分子名称: 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
7C05
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BU of 7c05 by Molmil
Crystal structure of human Trap1 with DN203495
分子名称: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
1K4B
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BU of 1k4b by Molmil
STRUCTURE OF AGUU RNA TETRALOOP, NMR, 20 STRUCTURES
分子名称: 5'-R(*GP*GP*UP*UP*CP*AP*GP*UP*UP*GP*AP*AP*CP*C)-3'
著者Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J.
登録日2001-10-07
公開日2001-12-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III.
EMBO J., 20, 2001
1K4A
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BU of 1k4a by Molmil
STRUCTURE OF AGAA RNA TETRALOOP, NMR, 20 STRUCTURES
分子名称: 5'-R(*GP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*C)-3'
著者Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J.
登録日2001-10-07
公開日2001-12-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III.
EMBO J., 20, 2001
4POF
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BU of 4pof by Molmil
PfMCM N-terminal domain without DNA
分子名称: Cell division control protein 21, ZINC ION
著者Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J.
登録日2014-02-25
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献A conserved MCM single-stranded DNA binding element is essential for replication initiation.
Elife, 3, 2014
4POG
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BU of 4pog by Molmil
MCM-ssDNA co-crystal structure
分子名称: 30-mer oligo(dT), Cell division control protein 21, ZINC ION
著者Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J.
登録日2014-02-25
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献A conserved MCM single-stranded DNA binding element is essential for replication initiation.
Elife, 3, 2014
1OPQ
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BU of 1opq by Molmil
NMR structure of unmethylated GATC site
分子名称: 5'-D(*CP*GP*CP*AP*GP*AP*TP*CP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*GP*AP*TP*CP*TP*GP*CP*G)-3'
著者Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
登録日2003-03-06
公開日2004-04-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
1OQ2
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BU of 1oq2 by Molmil
NMR structure of hemimethylated GATC site
分子名称: 5'-D(*CP*GP*CP*AP*GP*(6MA)P*TP*CP*TP*CP*GP*C)-3', 5'-D(*GP*CP*GP*AP*GP*AP*TP*CP*TP*GP*CP*G)-3'
著者Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
登録日2003-03-07
公開日2004-04-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
7DE1
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BU of 7de1 by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal RNA binding domain
分子名称: DI(HYDROXYETHYL)ETHER, Nucleoprotein
著者Chen, S, Kang, S.
登録日2020-11-01
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight Into the SARS-CoV-2 Nucleocapsid Protein C-Terminal Domain Reveals a Novel Recognition Mechanism for Viral Transcriptional Regulatory Sequences.
Front Chem, 8, 2020
1UAB
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BU of 1uab by Molmil
NMR structure of hemimethylated GATC site
分子名称: DNA (5'-D(*CP*GP*CP*AP*GP*(6MA)P*TP*CP*TP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*TP*CP*TP*GP*CP*G)-3')
著者Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
登録日2003-03-07
公開日2004-04-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
3NAH
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BU of 3nah by Molmil
Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
分子名称: RNA dependent RNA polymerase, SULFATE ION
著者Kim, K.H, Lee, J.H, Alam, I, Park, Y, Kang, S.
登録日2010-06-02
公開日2011-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
To be Published
3NAI
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BU of 3nai by Molmil
Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
分子名称: 5-FLUOROURACIL, GLYCEROL, MAGNESIUM ION, ...
著者Kim, K.H, Lee, J.H, Alam, I, Park, Y, Kang, S.
登録日2010-06-02
公開日2011-06-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
To be Published
5J2O
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BU of 5j2o by Molmil
Crystal structure of the cyan fluorescence protein Cerulean S175G mutant
分子名称: Green fluorescent protein
著者Park, S.-W, Kang, S, Yoon, T.-S.
登録日2016-03-29
公開日2016-04-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the cyan fluorescent protein Cerulean-S175G
Acta Crystallogr.,Sect.F, 72, 2016
5Y3N
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BU of 5y3n by Molmil
Structure of TRAP1 complexed with DN401
分子名称: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5Y3O
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BU of 5y3o by Molmil
Structure of TRAP1 complexed with DN320
分子名称: 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
8GOK
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BU of 8gok by Molmil
Legionella OTU deubiquitinase LotA OTU1 domain
分子名称: Legionella OTU-deubiquitinase A OTU1 domain
著者Shin, D, Kang, S.
登録日2022-08-25
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Legionella OTU deubiquitinase LotA OTU1 domain
To Be Published
4UGZ
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BU of 4ugz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH3
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BU of 4uh3 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4CTZ
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BU of 4ctz by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
分子名称: (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CTV
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BU of 4ctv by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl) pyridin-2-yl)propyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014

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