PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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8NSE	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CACODYLIC ACID, GLYCEROL, ... 著者 Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. 登録日 1999-01-14 公開日 2001-11-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry, 40, 2001
9ESF	Holo IDO with a bound inhibitor 分子名称: (~{S})-cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase 著者 Wicki, M, Mac Sweeney, A. 登録日 2024-03-26 公開日 2025-03-05 実験手法 X-RAY DIFFRACTION (2.501 Å) 主引用文献 SAR and cellular potency optimization of novel heme-binding IDO1 inhibitors To Be Published
6OJW	Crystal structure of Sphingomonas paucimobilis TMY1009 holo-LsdA 分子名称: FE (III) ION, GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, ... 著者 Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. 登録日 2019-04-12 公開日 2019-07-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
6Y8S	Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine 分子名称: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... 著者 Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. 登録日 2020-03-05 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.629 Å) 主引用文献 Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
1A8D	TETANUS TOXIN C FRAGMENT 分子名称: GOLD ION, TETANUS NEUROTOXIN 著者 Knapp, M, Rupp, B. 登録日 1998-03-23 公開日 1998-10-14 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 The 1.61 Angstrom Structure of the Tetanus Toxin Ganglioside Binding Region: Solved by MAD and Mir Phase Combination Am.Cryst.Assoc.,Abstr.Papers (Annual Meeting), 25, 1998
6N0K	The complex of CCG-257081 bound to pirin 分子名称: (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... 著者 Lisabeth, E.M, Jin, X, Neubig, R. 登録日 2018-11-07 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
6XM8	Crystal structure of lignostilbene bound to Co-LSD4 from Sphingobium sp. strain SYK-6 分子名称: COBALT (II) ION, DIMETHYL SULFOXIDE, Dioxygenase, ... 著者 Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. 登録日 2020-06-29 公開日 2021-05-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
8Y0V	HIF prolyl hydroxylase 2 in complex with inhibitor 分子名称: Egl nine homolog 1, MANGANESE (II) ION, ~{tert}-butyl 4-[6-[(6-cyanopyridin-3-yl)methylcarbamoyl]-5-oxidanyl-1,7-naphthyridin-2-yl]piperazine-1-carboxylate 著者 Ding, X, Fan, Y. 登録日 2024-01-23 公開日 2024-12-18 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Intestinal mucosal barrier repair and immune regulation with an AI-developed gut-restricted PHD inhibitor. Nat.Biotechnol., 2024
8VSK	Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol 分子名称: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ... 著者 Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S. 登録日 2024-01-24 公開日 2024-07-17 最終更新日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.515 Å) 主引用文献 Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B. Biochemistry, 63, 2024
7OLM	Dioxygenase AsqJ mutant (V72I) in complex with 2b-O-O and Tris 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one, BROMIDE ION, ... 著者 Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
7OLO	Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol 分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, BROMIDE ION, CHLORIDE ION, ... 著者 Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
7OLL	Dioxygenase AsqJ mutant (V72I) in complex with 2b and Tris 分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... 著者 Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
7OLK	Dioxygenase AsqJ in complex with 2b and Tris 分子名称: (3~{Z})-4-methyl-3-(phenylmethylidene)-1~{H}-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... 著者 Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
4WHR	Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-fluorobenzene-1,2-diol, 4-fluorooxepine-2,7-dione, ... 著者 Knoot, C.J, Lipscomb, J.D. 登録日 2014-09-23 公開日 2014-12-31 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase. Proc.Natl.Acad.Sci.USA, 112, 2015
5X6Q	Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048 分子名称: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase 著者 Kim, H.T, Hwang, K.Y. 登録日 2017-02-23 公開日 2018-02-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.897 Å) 主引用文献 Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase Cell Chem Biol, 25, 2018
6NS4	Crystal structure of fungal lipoxygenase from Fusarium graminearum. C2 crystal form. 分子名称: ACETATE ION, FE (II) ION, GLYCEROL, ... 著者 Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. 登録日 2019-01-24 公開日 2019-03-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
8DHH	DHODH IN COMPLEX WITH LIGAND 29 分子名称: (6M)-N-(3-chloro-2-methoxy-5-methylpyridin-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Shaffer, P.L. 登録日 2022-06-27 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
8DHG	DHODH IN COMPLEX WITH LIGAND 19 分子名称: (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Shaffer, P.L. 登録日 2022-06-27 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
8K04	CryoEM structure of a 2,3-hydroxycinnamic acid 1,2-dioxygenase MhpB in apo form 分子名称: 2,3-dihydroxyphenylpropionate/2,3-dihydroxicinnamic acid 1,2-dioxygenase 著者 Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q. 登録日 2023-07-07 公開日 2024-07-10 最終更新日 2025-02-12 実験手法 ELECTRON MICROSCOPY (2.72 Å) 主引用文献 Structural and catalytic insights into MhpB: A dioxygenase enzyme for degrading catecholic pollutants. J Hazard Mater, 488, 2025
8DHF	DHODH IN COMPLEX WITH LIGAND 11 分子名称: (6M)-N-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Shaffer, P.L. 登録日 2022-06-27 公開日 2022-08-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 N -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia. J.Med.Chem., 65, 2022
8FGO	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-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-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2022-12-12 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
8FGS	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-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-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2022-12-12 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8449 Å) 主引用文献 Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
8FGR	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-aminoethyl)-2,3-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-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2022-12-12 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
8FGP	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-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-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2022-12-12 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
8FGU	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Li, H, Poulos, T.L. 登録日 2022-12-12 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023

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