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8G60
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BU of 8g60 by Molmil
mRNA decoding in human is kinetically and structurally distinct from bacteria (CR state)
Descriptor: 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ...
Authors:Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C.
Deposit date:2023-02-14
Release date:2023-04-19
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:mRNA decoding in human is kinetically and structurally distinct from bacteria.
Nature, 617, 2023
6AUZ
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BU of 6auz by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV2
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BU of 6av2 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUT
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BU of 6aut by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUW
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BU of 6auw by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUS
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BU of 6aus by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile
Descriptor: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV6
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BU of 6av6 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUQ
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BU of 6auq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine
Descriptor: 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV4
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BU of 6av4 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUY
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BU of 6auy by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine
Descriptor: 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUV
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BU of 6auv by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV3
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BU of 6av3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV1
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BU of 6av1 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV0
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BU of 6av0 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile
Descriptor: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:LI, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUR
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BU of 6aur by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV5
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BU of 6av5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUU
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BU of 6auu by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AUX
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BU of 6aux by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV7
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BU of 6av7 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with HW69
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6JC0
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BU of 6jc0 by Molmil
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
Descriptor: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
Authors:Liu, X, Wang, H.Y.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
7DAC
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BU of 7dac by Molmil
Human RIPK3 amyloid fibril revealed by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 3
Authors:Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X.
Deposit date:2020-10-16
Release date:2021-04-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C4O
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BU of 7c4o by Molmil
Solution structure of the Orange domain from human protein HES1
Descriptor: Transcription factor HES-1
Authors:Fan, J.S, Nayak, A, Swaminathan, K.
Deposit date:2020-05-18
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Induction of Transcriptional Inhibitor Hairy and Enhancer of Split Homolog-1 and the Related Repression of Tumor-Suppressor Thioredoxin-Interacting Protein Are Important Components of Cell-Transformation Program Imposed by Oncogenic Kinase Nucleophosmin-Anaplastic Lymphoma Kinase.
Am J Pathol, 2022
5LS0
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BU of 5ls0 by Molmil
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Soluble inorganic pyrophosphatase 1
Authors:Grzechowiak, M, Sikorski, M, Jaskolski, M.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity.
Biochem.J., 476, 2019
3SH5
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BU of 3sh5 by Molmil
Calcium-bound Laminin G like domain 3 from human perlecan
Descriptor: CALCIUM ION, LG3 peptide
Authors:Van Le, B, Kim, K.K.
Deposit date:2011-06-16
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the LG3 Domain of Endorepellin, an Angiogenesis Inhibitor.
J.Mol.Biol., 414, 2011
3SH4
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BU of 3sh4 by Molmil
Laminin G like domain 3 from human perlecan
Descriptor: LG3 peptide
Authors:Van Le, B, Kim, K.K.
Deposit date:2011-06-15
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the LG3 Domain of Endorepellin, an Angiogenesis Inhibitor.
J.Mol.Biol., 414, 2011

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