3UFU
| Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine | Descriptor: | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-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: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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5XF7
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3UFR
| Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3UFW
| Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3UFT
| Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3UFP
| Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3UFS
| Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-11-01 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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1AC6
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1R0V
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1ADG
| CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | Deposit date: | 1993-10-18 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin. Biochemistry, 33, 1994
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1ADF
| CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | Deposit date: | 1993-10-18 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin. Biochemistry, 33, 1994
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7L1E
| The Crystal Structure of Bromide-Bound GtACR1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Anion channelrhodopsin-1, BROMIDE ION, ... | Authors: | Li, H, Huang, C.Y, Wang, M, Spudich, J.L, Zheng, L. | Deposit date: | 2020-12-14 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of bromide-bound Gt ACR1 reveals a pre-activated state in the transmembrane anion tunnel. Elife, 10, 2021
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5B79
| Crystal structure of DPF2 double PHD finger | Descriptor: | ZINC ION, Zinc finger protein ubi-d4 | Authors: | Li, H, Xiong, X. | Deposit date: | 2016-06-05 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2 Nat.Chem.Biol., 12, 2016
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5CPF
| Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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1RZQ
| Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter Cycloclastes at pH5.0 | Descriptor: | ACETIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Li, H.T, Wang, C, Chang, T, Chang, W.C, Liu, M.Y, Le Gall, J, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R. | Deposit date: | 2003-12-26 | Release date: | 2004-03-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes Biochem.Biophys.Res.Commun., 316, 2004
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4EUX
| Structure of neuronal 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: | 2012-04-25 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
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3LL8
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1RZP
| Crystal Structure of C-Terminal Despentapeptide Nitrite Reductase from Achromobacter Cycloclastes at pH6.2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Li, H.T, Wang, C, Chang, T, Chang, W.C, Liu, M.Y, Le Gall, J, Gui, L.L, Zhang, J.P, An, X.M, Chang, W.R. | Deposit date: | 2003-12-26 | Release date: | 2004-03-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | pH-profile crystal structure studies of C-terminal despentapeptide nitrite reductase from Achromobacter cycloclastes Biochem.Biophys.Res.Commun., 316, 2004
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5COQ
| The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-20 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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1SBB
| T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SUPERANTIGEN SEB | Descriptor: | PROTEIN (14.3.D T CELL ANTIGEN RECEPTOR), PROTEIN (STAPHYLOCOCCAL ENTEROTOXIN B) | Authors: | Li, H, Mariuzza, R.A. | Deposit date: | 1999-02-22 | Release date: | 1999-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of the complex between a T cell receptor beta chain and the superantigen staphylococcal enterotoxin B. Immunity, 9, 1998
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1BU7
| CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN | Descriptor: | 1,2-ETHANEDIOL, PROTEIN (CYTOCHROME P450), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, H, Poulos, T.L. | Deposit date: | 1998-09-14 | Release date: | 1998-09-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex. Proc.Natl.Acad.Sci.USA, 96, 1999
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2LZY
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2LZX
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3N5V
| Structure of neuronal nitric oxide synthase heme domain in complex with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N62
| Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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