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PDB: 46984 results Info pages Status search Chemie search BIRD

Crystal structure of xanthine dehydrogenase family protein
Descriptor:	6-hydroxypseudooxynicotine dehydrogenase complex subunit alpha, 6-hydroxypseudooxynicotine dehydrogenase complex subunit beta, 6-hydroxypseudooxynicotine dehydrogenase complex subunit gamma, ...
Authors:	Lei, W.
Deposit date:	2020-12-24
Release date:	2022-01-26
Last modified:	2024-05-29
Method:	X-RAY DIFFRACTION (3.44 Å)
Cite:	crystal structure of xanthine dehydrogenase family protein To Be Published

4D35

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
Descriptor:	3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-10-20
Release date:	2014-12-24
Last modified:	2015-03-04
Method:	X-RAY DIFFRACTION (2.18 Å)
Cite:	Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015

4CX0

Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor:	5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-04-03
Release date:	2014-08-13
Last modified:	2014-09-03
Method:	X-RAY DIFFRACTION (2.2 Å)
Cite:	Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014

7E0G

Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Descriptor:	GLYCEROL, IMIDAZOLE, Lysine-specific histone demethylase 1A, ...
Authors:	Oki, H.
Deposit date:	2021-01-28
Release date:	2021-03-24
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.25 Å)
Cite:	LSD1 enzyme inhibitor TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models. Sci Adv, 7, 2021

4D4Z

STRUCTURE OF HUMAN DEOXYHYPUSINE HYDROXYLASE in complex with glycerol
Descriptor:	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYHYPUSINE HYDROXYLASE, FE (III) ION, ...
Authors:	Han, Z, Sakai, N, Hilgenfeld, R.
Deposit date:	2014-10-31
Release date:	2015-04-15
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Crystal Structure of the Peroxo-Diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. Structure, 23, 2015

8K4L

Crystal structure of NRF1 homodimer in complex with DNA
Descriptor:	DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
Authors:	Liu, K, Li, W.F, Min, J.R.
Deposit date:	2023-07-19
Release date:	2023-12-06
Last modified:	2024-02-07
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Molecular mechanism of specific DNA sequence recognition by NRF1. Nucleic Acids Res., 52, 2024

4CUM

Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one
Descriptor:	(9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one, ACETATE ION, ARGININE, ...
Authors:	Chreifi, G, Li, H, Poulos, T.L.
Deposit date:	2014-03-20
Release date:	2014-05-28
Last modified:	2014-07-16
Method:	X-RAY DIFFRACTION (2.33 Å)
Cite:	Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry, 53, 2014

4CX2

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:	2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-04-03
Release date:	2014-08-13
Last modified:	2014-09-03
Method:	X-RAY DIFFRACTION (2.04 Å)
Cite:	Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014

4D34

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
Descriptor:	2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Chreifi, G, Li, H, Poulos, T.L.
Deposit date:	2014-10-20
Release date:	2014-12-24
Last modified:	2015-03-04
Method:	X-RAY DIFFRACTION (2.25 Å)
Cite:	Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015

4CWW

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4-METHYLPYRIDIN-2-YL)PENTYL) OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:	4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-04-03
Release date:	2014-08-13
Last modified:	2014-09-03
Method:	X-RAY DIFFRACTION (2.16 Å)
Cite:	Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014

4CTZ

Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
Descriptor:	(S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Chreifi, G, Li, H, Poulos, T.L.
Deposit date:	2014-03-15
Release date:	2014-05-07
Last modified:	2014-12-03
Method:	X-RAY DIFFRACTION (2.01 Å)
Cite:	Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014

4CUL

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one
Descriptor:	6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one, ACETATE ION, ARGININE, ...
Authors:	Chreifi, G, Li, H, Poulos, T.L.
Deposit date:	2014-03-20
Release date:	2014-05-28
Last modified:	2014-07-16
Method:	X-RAY DIFFRACTION (2.23 Å)
Cite:	Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry, 53, 2014

5SX9

Crystal Structure of PI3Kalpha in complex with fragment 14
Descriptor:	4,6-dimethylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:	Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:	2016-08-09
Release date:	2017-02-15
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (3.52 Å)
Cite:	Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017

4D37

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl) pyrimidin-4-yl]ethanamine
Descriptor:	5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-10-20
Release date:	2014-12-24
Last modified:	2015-03-04
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015

3ZVG

3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
Descriptor:	3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:	Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:	2011-07-24
Release date:	2012-08-08
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013

3ZIA

The structure of F1-ATPase from Saccharomyces cerevisiae inhibited by its regulatory protein IF1
Descriptor:	1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:	Robinson, G.C, Bason, J.V, Montgomery, M.G, Fearnley, I.M, Mueller, D.M, Leslie, A.G.W, Walker, J.E.
Deposit date:	2013-01-07
Release date:	2013-02-13
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	The Structure of F1-ATPase from Saccharomyces Cerevisiae Inhibited by its Regulatory Protein If1. Open Biol., 3, 2013

3ZRY

Rotor architecture in the F(1)-c(10)-ring complex of the yeast F-ATP synthase
Descriptor:	ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, MITOCHONDRIAL, ...
Authors:	Giraud, M.-F, Dautant, A.
Deposit date:	2011-06-21
Release date:	2012-01-18
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (6.5 Å)
Cite:	Rotor Architecture in the Yeast and Bovine F(1)-C-Ring Complexes of F-ATP Synthase. J.Struct.Biol., 177, 2012

8K79

Crystal structure of c-SRC kinase domain bound by TPX-0022
Descriptor:	Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
Authors:	Qu, L.Z, Chen, Y.H.
Deposit date:	2023-07-26
Release date:	2024-07-31
Method:	X-RAY DIFFRACTION (2.8 Å)
Cite:	Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src. Comput Struct Biotechnol J, 21, 2023

8K78

Crystal structure of cMET kinase domain bound by TPX-0022
Descriptor:	Elzovantinib, Hepatocyte growth factor receptor
Authors:	Qu, L.Z, Chen, Y.H.
Deposit date:	2023-07-26
Release date:	2024-07-31
Method:	X-RAY DIFFRACTION (2.67 Å)
Cite:	Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src. Comput Struct Biotechnol J, 21, 2023

7BPI

The crystal structue of PDE10A complexed with 14
Descriptor:	8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:	Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
Deposit date:	2020-03-22
Release date:	2021-01-27
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.4000864 Å)
Cite:	Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020

4CTY

Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
Descriptor:	(R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Chreifi, G, Li, H, Poulos, T.L.
Deposit date:	2014-03-15
Release date:	2014-05-07
Last modified:	2014-06-04
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014

4CTV

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl) pyridin-2-yl)propyl)-4-methylpyridin-2-amine
Descriptor:	5,6,7,8-TETRAHYDROBIOPTERIN, 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-03-15
Release date:	2014-05-07
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.78 Å)
Cite:	Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014

4CTQ

Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
Descriptor:	(R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-03-15
Release date:	2014-05-07
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity. J.Med.Chem., 57, 2014

4CWY

Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:	5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-04-03
Release date:	2014-08-13
Last modified:	2014-09-03
Method:	X-RAY DIFFRACTION (2.15 Å)
Cite:	Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014

4D7O

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4- methylpyridin-2-amine
Descriptor:	5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:	Li, H, Poulos, T.L.
Deposit date:	2014-11-25
Release date:	2015-07-01
Last modified:	2024-05-08
Method:	X-RAY DIFFRACTION (1.78 Å)
Cite:	Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus Chem.Biol., 22, 2015

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Total results:	46984
Displayed results:	25
Sorted by:	Hit score (from highest)
Query:	14