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6JBZ
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STRUCTURAL ANALYSIS OF MOLYBDOPTERIN SYNTHASES FROM TWO MYCOBACTERIA PATHOGENS
Descriptor:Molybdenum cofactor biosynthesis protein E, MoaD/ThiS family protein, SULFATE ION
Authors:Wang, H.Y., Liu, X.
Deposit date:2019-01-27
Release date:2019-02-13
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
5Y0F
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CRYSTAL STRUCTURE OF HUMAN FABP4 COMPLEXED WITH LIGAND 2-FLUORO-5-((4-METHOXYNAPHTHALENE)-1-SULFONAMIDO) BENZOIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Authors:Su, H.X., Liu, Q.F., Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0G
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CRYSTAL STRUCTURE OF HUMAN FABP4 COMPLEXED WITH LIGAND 4-FLUORO-3-((4-METHOXYNAPHTHALENE)-1-SULFONAMIDO) BENZOIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Authors:Su, H.X., Liu, Q.F., Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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CRYSTAL STRUCTURE OF HUMAN FABP4 COMPLEXED WITH LIGAND 2-FLUORO-3-((4-METHOXYNAPHTHALENE)-1-SULFONAMIDO)BENZOIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
Authors:Su, H.X., Liu, Q.F., Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y12
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CRYSTAL STRUCTURE OF HUMAN FABP4 COMPLEXED WITH LIGAND 5-((4-METHOXYNAPHTHALENE)-1-SULFONAMIDO)PENTANOIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
Authors:Su, H.X., Liu, Q.F., Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y13
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CRYSTAL STRUCTURE OF HUMAN FABP4 COMPLEXED WITH LIGAND 5-((4-BROMONAPHTHALENE)-1-SULFONAMIDO)PENTANOIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
Authors:Su, H.X., Liu, Q.F., Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
6JC0
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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:2019-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
6AUQ
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-(3-(3-(METHYLAMINO)PROPYL)PHENETHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUR
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUS
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUT
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(3-(3-(DIMETHYLAMINO)PROPYL)-5-FLUOROPHENETHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUV
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUW
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUX
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUY
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AUZ
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV0
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:LI, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV1
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV2
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV3
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV5
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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:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV6
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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:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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
6AV7
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STRUCTURE OF HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH HW69
Descriptor:Nitric oxide synthase, endothelial, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2019-02-20
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