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7TSN
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BU of 7tsn by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSD
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BU of 7tsd by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSA
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BU of 7tsa by Molmil
Structure of rat neuronal nitric oxide synthase R349A/H692F mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine
Descriptor: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSL
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BU of 7tsl by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS4
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BU of 7ts4 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS7
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BU of 7ts7 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSC
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BU of 7tsc by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7959 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSP
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BU of 7tsp by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS2
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BU of 7ts2 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9758 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS6
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BU of 7ts6 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine
Descriptor: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS3
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BU of 7ts3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS1
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BU of 7ts1 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS5
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BU of 7ts5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS9
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BU of 7ts9 by Molmil
Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8526 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSB
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BU of 7tsb by Molmil
Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
Descriptor: 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8177 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSH
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BU of 7tsh by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
1L0X
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BU of 1l0x by Molmil
TCR beta chain complexed with streptococcal superantigen SpeA
Descriptor: 14.3.d T cell receptor beta chain, Exotoxin type A, GLYCEROL
Authors:Li, H, Sundberg, E.J, Mariuzza, R.A.
Deposit date:2002-02-14
Release date:2002-04-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of two streptococcal superantigens bound to TCR beta chains reveal diversity in the architecture of T cell signaling complexes.
Structure, 10, 2002
6WC0
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BU of 6wc0 by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNTC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA (30-MER), ...
Authors:Li, H, Das, A.
Deposit date:2020-03-28
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
6WBR
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BU of 6wbr by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNCC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family,CRISPR-associated endonuclease, Csn1 family, ...
Authors:Li, H, Das, A.
Deposit date:2020-03-27
Release date:2020-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
7UAN
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BU of 7uan by Molmil
Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-03-13
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6969 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7US8
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BU of 7us8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)butyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-04-23
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7UAM
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BU of 7uam by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-03-13
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7UAO
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BU of 7uao by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-03-13
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
2QYG
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BU of 2qyg by Molmil
Crystal Structure of a RuBisCO-like Protein rlp2 from Rhodopseudomonas palustris
Descriptor: Ribulose bisphosphate carboxylase-like protein 2
Authors:Li, H, Chan, S, Tabita, F.R, Eisenberg, D.
Deposit date:2007-08-14
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Function, structure, and evolution of the RubisCO-like proteins and their RubisCO homologs.
Microbiol.Mol.Biol.Rev., 71, 2007
6BS5
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BU of 6bs5 by Molmil
Crystal structure of AMP-PNP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis
Descriptor: Anion transporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, H, Hu, K, Kovach, A.
Deposit date:2017-12-01
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis.
J.Bacteriol., 201, 2019

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