6NH4
 
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NH6
 | | Structure of the human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.189 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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4RNL
 | | The crystal structure of a possible galactose mutarotase from Streptomyces platensis subsp. rosaceus | | 分子名称: | GLYCEROL, PHOSPHATE ION, possible galactose mutarotase | | 著者 | Tan, K, Li, H, Endres, M, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2014-10-24 | | 公開日 | 2014-11-26 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of a possible galactose mutarotase from Streptomyces platensis subsp. rosaceus
To be Published
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6NH8
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NH7
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, Endothelial nitric oxide synthase splice variant eNOS13A, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NHF
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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4RR4
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 | | 分子名称: | 2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Zhu, L, Ren, X, Zhu, J, Li, H. | | 登録日 | 2014-11-06 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
TO BE PUBLISHED
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6NH3
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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4RKA
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 | | 分子名称: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Zhu, L, Ren, X, Zhu, J, Li, H. | | 登録日 | 2014-10-12 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347
TO BE PUBLISHED
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4RLI
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | | 分子名称: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Zhu, L, Ren, X, Zhu, J, Li, H. | | 登録日 | 2014-10-17 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048
TO BE PUBLISHED
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6OCZ
 | | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86 | | 分子名称: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | | 著者 | Hsu, H.C, Li, H. | | 登録日 | 2019-03-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
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5VIE
 | | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | | 分子名称: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ... | | 著者 | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | | 登録日 | 2017-04-15 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
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4RV5
 | | The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with pyruvic acid | | 分子名称: | Amino acid/amide ABC transporter substrate-binding protein, HAAT family, FORMIC ACID, ... | | 著者 | Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-11-24 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | The crystal structure of a solute-binding protein from Anabaena variabilis ATCC 29413 in complex with pyruvic acid
To be Published
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4RK8
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356 | | 分子名称: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | 著者 | Zhu, L, Ren, X, Zhu, J, Li, H. | | 登録日 | 2014-10-12 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A356
TO BE PUBLISHED
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6OCW
 | | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85 | | 分子名称: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | | 著者 | Hsu, H.C, Li, H. | | 登録日 | 2019-03-25 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
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5VIF
 | | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | | 分子名称: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | | 著者 | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | | 登録日 | 2017-04-15 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
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4TKT
 | | Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS6 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | | 著者 | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2014-05-27 | | 公開日 | 2014-06-11 | | 最終更新日 | 2023-03-22 | | 実験手法 | X-RAY DIFFRACTION (2.4289 Å) | | 主引用文献 | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3QJJ
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3QJP
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6ODE
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4UH7
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2015-03-23 | | 公開日 | 2015-07-15 | | 最終更新日 | 2015-08-05 | | 実験手法 | X-RAY DIFFRACTION (2.235 Å) | | 主引用文献 | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
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1P3U
 | | Crystal Structures of the NO-and CO-Bound Heme Oxygenase From Neisseria Meningitidis: Implications for Oxygen Activation | | 分子名称: | Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Friedman, J, Lad, L, Deshmukh, R, Li, H, Wilks, A, Poulos, T.L. | | 登録日 | 2003-04-18 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structures of the NO- and CO-bound heme oxygenase from Neisseriae meningitidis. Implications for O2 activation
J.Biol.Chem., 278, 2003
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3QJL
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3KRD
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1N3U
 | | Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B | | 分子名称: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, heme oxygenase 1 | | 著者 | Lad, L, Schuller, D.J, Friedman, J.P, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | | 登録日 | 2002-10-29 | | 公開日 | 2002-11-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1
J.Biol.Chem., 278, 2003
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