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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
Descriptor: Integrin alpha-L, Intercellular adhesion molecule 1, MAGNESIUM ION
Authors:Kang, S, Kim, C.U, Gu, X, Owens, R.M, van Rijn, S.J, Boonyaleepun, V, Mao, Y, Springer, T.A, Jin, M.M.
Deposit date:2011-08-09
Release date:2011-08-31
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity L Integrin I Domain of Native C-Terminal Helix Conformation
To be Published
6M3M
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BU of 6m3m by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein N-terminal RNA binding domain
Descriptor: Nucleoprotein
Authors:Chen, S, Kang, S.
Deposit date:2020-03-04
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of SARS-CoV-2 nucleocapsid protein RNA binding domain reveals potential unique drug targeting sites.
Acta Pharm Sin B, 10, 2020
7CR5
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BU of 7cr5 by Molmil
Complex structure of a human monoclonal antibody with SARS-CoV-2 nucleocapsid protein NTD
Descriptor: Nucleoprotein, ZINC ION, monoclonal antibody chain H, ...
Authors:Chen, S, Kang, S.
Deposit date:2020-08-12
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A SARS-CoV-2 antibody curbs viral nucleocapsid protein-induced complement hyperactivation.
Nat Commun, 12, 2021
7C04
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BU of 7c04 by Molmil
Crystal structure of human Trap1 with DN203492
Descriptor: 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
Deposit date:2020-04-30
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
Deposit date:2020-04-30
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite: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
5Y3N
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BU of 5y3n by Molmil
Structure of TRAP1 complexed with DN401
Descriptor: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
Deposit date:2017-07-29
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
Deposit date:2017-07-29
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
1K4B
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BU of 1k4b by Molmil
STRUCTURE OF AGUU RNA TETRALOOP, NMR, 20 STRUCTURES
Descriptor: 5'-R(*GP*GP*UP*UP*CP*AP*GP*UP*UP*GP*AP*AP*CP*C)-3'
Authors:Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J.
Deposit date:2001-10-07
Release date:2001-12-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite: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
Descriptor: 5'-R(*GP*GP*UP*UP*CP*AP*GP*AP*AP*GP*AP*AP*CP*C)-3'
Authors:Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J.
Deposit date:2001-10-07
Release date:2001-12-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III.
EMBO J., 20, 2001
3NAH
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BU of 3nah by Molmil
Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
Descriptor: RNA dependent RNA polymerase, SULFATE ION
Authors:Kim, K.H, Lee, J.H, Alam, I, Park, Y, Kang, S.
Deposit date:2010-06-02
Release date:2011-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: 5-FLUOROURACIL, GLYCEROL, MAGNESIUM ION, ...
Authors:Kim, K.H, Lee, J.H, Alam, I, Park, Y, Kang, S.
Deposit date:2010-06-02
Release date:2011-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal structures and functional analysis of murine norovirus RNA-dependent RNA polymerase
To be Published
1UAB
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BU of 1uab by Molmil
NMR structure of hemimethylated GATC site
Descriptor: 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')
Authors:Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
Deposit date:2003-03-07
Release date:2004-04-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
4POF
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BU of 4pof by Molmil
PfMCM N-terminal domain without DNA
Descriptor: Cell division control protein 21, ZINC ION
Authors:Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J.
Deposit date:2014-02-25
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.648 Å)
Cite: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
Descriptor: 30-mer oligo(dT), Cell division control protein 21, ZINC ION
Authors:Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J.
Deposit date:2014-02-25
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:A conserved MCM single-stranded DNA binding element is essential for replication initiation.
Elife, 3, 2014
1OQ2
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BU of 1oq2 by Molmil
NMR structure of hemimethylated GATC site
Descriptor: 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'
Authors:Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
Deposit date:2003-03-07
Release date:2004-04-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
1OPQ
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BU of 1opq by Molmil
NMR structure of unmethylated GATC site
Descriptor: 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'
Authors:Bae, S.-H, Cheong, H.-K, Kang, S, Hwang, D.S, Cheong, C, Choi, B.-S.
Deposit date:2003-03-06
Release date:2004-04-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition
J.Biol.Chem., 278, 2003
5J2O
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BU of 5j2o by Molmil
Crystal structure of the cyan fluorescence protein Cerulean S175G mutant
Descriptor: Green fluorescent protein
Authors:Park, S.-W, Kang, S, Yoon, T.-S.
Deposit date:2016-03-29
Release date:2016-04-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the cyan fluorescent protein Cerulean-S175G
Acta Crystallogr.,Sect.F, 72, 2016
8GOK
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BU of 8gok by Molmil
Legionella OTU deubiquitinase LotA OTU1 domain
Descriptor: Legionella OTU-deubiquitinase A OTU1 domain
Authors:Shin, D, Kang, S.
Deposit date:2022-08-25
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Legionella OTU deubiquitinase LotA OTU1 domain
To Be Published
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
Descriptor: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
Deposit date:2020-05-24
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
Deposit date:2020-05-24
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7DE1
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BU of 7de1 by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal RNA binding domain
Descriptor: DI(HYDROXYETHYL)ETHER, Nucleoprotein
Authors:Chen, S, Kang, S.
Deposit date:2020-11-01
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
4UH9
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BU of 4uh9 by Molmil
Structure of bovine endothelial 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
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UHA
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BU of 4uha by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
Descriptor: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J. Med. Chem., 58, 2015
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
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.076 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
4UH5
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BU of 4uh5 by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015

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