7CI3
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7E3O
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2L4M
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4LWB
| Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-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-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Li, H, Poulos, T.L. | Deposit date: | 2013-07-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LWA
| Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane | Descriptor: | 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Li, H, Poulos, T.P. | Deposit date: | 2013-07-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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7EKN
| Crystal structure of AF10-ipep complex | Descriptor: | Protein AF-10, ipep | Authors: | Chen, S, Zhou, Z. | Deposit date: | 2021-04-05 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural characteristics of coiled-coil regions in AF10-DOT1L and AF10-inhibitory peptide complex. J Leukoc Biol, 110, 2021
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7EDP
| Crystal structure of AF10-DOT1L complex | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10 | Authors: | Chen, S, Zhou, Z. | Deposit date: | 2021-03-16 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characteristics of coiled-coil regions in AF10-DOT1L and AF10-inhibitory peptide complex. J Leukoc Biol, 110, 2021
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4LUX
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-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-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LUW
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-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-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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5ADF
| Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADE
| Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl) phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5AD5
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5XUY
| Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13 | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation. Autophagy, 14, 2018
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5XV3
| Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13, DI(HYDROXYETHYL)ETHER | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation. Autophagy, 14, 2018
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5XV6
| Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13 | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.455 Å) | Cite: | The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation. Autophagy, 14, 2018
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5XV4
| Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13 | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation. Autophagy, 14, 2018
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5G0N
| Structure of rat neuronal nitric oxide synthase D597N 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, 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: | 2016-03-21 | Release date: | 2016-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.936 Å) | Cite: | Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 2016
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5FJ2
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-10-06 | Release date: | 2015-10-28 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5G0O
| Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with 4-METHYL-6-(2-(5-(4-METHYLPIPERAZIN-1-YL) PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE | Descriptor: | 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-03-21 | Release date: | 2016-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 2016
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5G0P
| Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-03-21 | Release date: | 2016-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 2016
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5FJ3
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-10-06 | Release date: | 2015-10-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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6H4A
| Human MALT1(329-728) in complex with MLT-748 | Descriptor: | 1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | Authors: | Renatus, M, Renatus, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient. Nat. Chem. Biol., 15, 2019
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7VZO
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8FFJ
| Structure of Zanidatamab bound to HER2 | Descriptor: | Receptor tyrosine-protein kinase erbB-2, Zanidatamab Heavy Chain A, Zanidatamab Heavy Chain B, ... | Authors: | Worrall, L.J, Atkinson, C.E, Sanches, M, Dixit, S, Strynadka, N.C.J. | Deposit date: | 2022-12-08 | Release date: | 2023-02-22 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | An anti-HER2 biparatopic antibody that induces unique HER2 clustering and complement-dependent cytotoxicity. Nat Commun, 14, 2023
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7EXP
| Crystal structure of zebrafish TRAP1 with AMPPNP and MitoQ | Descriptor: | 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione, COBALT (II) ION, MAGNESIUM ION, ... | Authors: | Lee, H, Yoon, N.G, Kang, B.H, Lee, C. | Deposit date: | 2021-05-28 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site. J.Am.Chem.Soc., 143, 2021
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