3TCX
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![BU of 3tcx by Molmil](/molmil-images/mine/3tcx) | 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
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6M3M
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![BU of 6m3m by Molmil](/molmil-images/mine/6m3m) | |
7CR5
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![BU of 7cr5 by Molmil](/molmil-images/mine/7cr5) | |
4POF
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![BU of 4pof by Molmil](/molmil-images/mine/4pof) | 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
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4POG
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![BU of 4pog by Molmil](/molmil-images/mine/4pog) | 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
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7C7B
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![BU of 7c7b by Molmil](/molmil-images/mine/7c7b) | 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
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7C7C
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![BU of 7c7c by Molmil](/molmil-images/mine/7c7c) | 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
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7C04
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![BU of 7c04 by Molmil](/molmil-images/mine/7c04) | 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
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7C05
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![BU of 7c05 by Molmil](/molmil-images/mine/7c05) | 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
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5Y3N
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![BU of 5y3n by Molmil](/molmil-images/mine/5y3n) | 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
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5Y3O
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![BU of 5y3o by Molmil](/molmil-images/mine/5y3o) | 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
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7DE1
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![BU of 7de1 by Molmil](/molmil-images/mine/7de1) | |
5J2O
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![BU of 5j2o by Molmil](/molmil-images/mine/5j2o) | |
1OQ2
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![BU of 1oq2 by Molmil](/molmil-images/mine/1oq2) | 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: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition J.Biol.Chem., 278, 2003
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1OPQ
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![BU of 1opq by Molmil](/molmil-images/mine/1opq) | 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: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of hemimethylated GATC sites: implications for DNA-SeqA recognition J.Biol.Chem., 278, 2003
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3NAI
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![BU of 3nai by Molmil](/molmil-images/mine/3nai) | 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
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1K4B
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![BU of 1k4b by Molmil](/molmil-images/mine/1k4b) | 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: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III. EMBO J., 20, 2001
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1K4A
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![BU of 1k4a by Molmil](/molmil-images/mine/1k4a) | 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: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III. EMBO J., 20, 2001
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3NAH
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![BU of 3nah by Molmil](/molmil-images/mine/3nah) | 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
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1UAB
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![BU of 1uab by Molmil](/molmil-images/mine/1uab) | 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
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8GOK
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![BU of 8gok by Molmil](/molmil-images/mine/8gok) | |
4UH7
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![BU of 4uh7 by Molmil](/molmil-images/mine/4uh7) | Structure of bovine endothelial 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, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.235 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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4UH5
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![BU of 4uh5 by Molmil](/molmil-images/mine/4uh5) | 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: | 2024-05-08 | 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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4UH1
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![BU of 4uh1 by Molmil](/molmil-images/mine/4uh1) | Structure of rat neuronal nitric oxide synthase 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, ACETATE 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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 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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4UH2
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![BU of 4uh2 by Molmil](/molmil-images/mine/4uh2) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)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)-5-(TRIFLUOROMETHYL)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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.991 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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