4CTR
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(6-Amino-4-methylpyridin-2-yl)-1-(3-(2-(6-amino-4- methylpyridin-2-yl)ethyl )phenyl)ethan-1-ol | | Descriptor: | (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol, 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 (2.2 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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4CU0
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | | Descriptor: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-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 (2.08 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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4Q3B
 | | PylD cocrystallized with L-Lysine-Ne-D-lysine and NAD+ | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | | Deposit date: | 2014-04-11 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD).
Angew.Chem.Int.Ed.Engl., 53, 2014
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3NS4
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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
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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
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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
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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
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3WGZ
 | | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88 | | Descriptor: | D-LEUCINE, Meso-diaminopimelate dehydrogenase | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-08-20 | | Release date: | 2014-08-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
to be published
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6SQ0
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4CTU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl) phenyl)propyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}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 (2.16 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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3WGO
 | | Crystal structure of Q154L/T173I/R199M/P248S/H249/N276S mutant of meso-dapdh from Clostridium tetani E88 | | Descriptor: | Meso-diaminopimelate dehydrogenase | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-08-06 | | Release date: | 2014-08-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Q154L/T173I/R199M/P248S/H249 mutant of meso-dapdh from Clostridium tetani E88
To be Published
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3WGY
 | | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with 4-methyl-2-oxovalerate of from Clostridium tetani E88 | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, Meso-diaminopimelate dehydrogenase | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-08-19 | | Release date: | 2014-08-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with 4-methyl-2-oxovalerate of from Clostridium tetani E88
to be published
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5MS4
 | | Kallikrein-related peptidase 8 leupeptin inhibitor complex | | Descriptor: | CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... | | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | | Deposit date: | 2016-12-30 | | Release date: | 2018-01-17 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin.
Sci Rep, 8, 2018
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4FNJ
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4CTW
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine | | Descriptor: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-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 (1.9 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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4CTT
 | | Structure of rat neuronal 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: | Li, H, Poulos, T.L. | | Deposit date: | 2014-03-15 | | Release date: | 2014-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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4CU1
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-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: | 2014-06-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
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5UA3
 | | Crystal Structure of a DNA G-Quadruplex with a Cytosine Bulge | | Descriptor: | DNA (5'-D(*GP*GP*GP*TP*TP*GP*CP*GP*GP*AP*GP*GP*GP*TP*GP*GP*GP*CP*CP*T)-3'), POTASSIUM ION | | Authors: | Meier, M, McDougall, M.D, Krahn, N.J, Moya-Torres, A, McRae, E.K.S, Booy, E.P, Patel, T.R, McKenna, S.A, Stetefeld, J. | | Deposit date: | 2016-12-18 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8802 Å) | | Cite: | Structure and hydrodynamics of a DNA G-quadruplex with a cytosine bulge.
Nucleic Acids Res., 46, 2018
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5GPA
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2Y95
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3WGQ
 | | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with DAP of from Clostridium tetani E88 | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Meso-diaminopimelate dehydrogenase | | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2013-08-07 | | Release date: | 2014-08-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with DAP of from Clostridium tetani E88
To be Published
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3V3O
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3N3I
 | | Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | | Authors: | Prashar, V, Bihani, S.C, Das, A, Rao, D.R, Hosur, M.V. | | Deposit date: | 2010-05-20 | | Release date: | 2010-06-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex
Biochem.Biophys.Res.Commun., 396, 2010
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5GPC
 | | Structural analysis of fatty acid degradation regulator FadR from Bacillus halodurans | | Descriptor: | DNA (5'-D(P*CP*AP*TP*GP*AP*AP*TP*GP*AP*GP*TP*AP*TP*TP*CP*AP*TP*TP*CP*AP*T)-3'), DNA (5'-D(P*GP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*AP*CP*TP*CP*AP*TP*TP*CP*AP*T)-3'), Transcriptional regulator (TetR/AcrR family) | | Authors: | Lee, J.Y, Yeo, H.K, Park, T.W. | | Deposit date: | 2016-08-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of operator sites recognition and effector binding in the TetR family transcription regulator FadR.
Nucleic Acids Res., 45, 2017
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