3I8R
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![BU of 3i8r by Molmil](/molmil-images/mine/3i8r) | Crystal structure of the heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with heme binding ditiothreitol (DTT) | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Matsui, T, Unno, M, Ikeda-Saito, M. | 登録日 | 2009-07-10 | 公開日 | 2010-05-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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2J8U
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![BU of 2j8u by Molmil](/molmil-images/mine/2j8u) | Large CDR3a loop alteration as a function of MHC mutation. | 分子名称: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, Beta-2-microglobulin, ... | 著者 | Miller, P.J, Benhar, Y.P, Biddison, W, Collins, E.J. | 登録日 | 2006-10-27 | 公開日 | 2007-10-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Single MHC mutation eliminates enthalpy associated with T cell receptor binding. J. Mol. Biol., 373, 2007
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2PBJ
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![BU of 2pbj by Molmil](/molmil-images/mine/2pbj) | GSH-heme bound microsomal prostaglandin E synthase | 分子名称: | CHLORIDE ION, GLUTATHIONE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Takusagawa, F, Yamada, T. | 登録日 | 2007-03-28 | 公開日 | 2008-02-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | PGH2 degradation pathway catalyzed by GSH-heme complex bound microsomal prostaglandin E2 synthase type 2: the first example of a dual-function enzyme. Biochemistry, 46, 2007
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5YL3
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![BU of 5yl3 by Molmil](/molmil-images/mine/5yl3) | Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5 | 分子名称: | Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION | 著者 | Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T. | 登録日 | 2017-10-17 | 公開日 | 2017-12-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix. J. Am. Chem. Soc., 139, 2017
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6MK2
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![BU of 6mk2 by Molmil](/molmil-images/mine/6mk2) | |
6MP4
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![BU of 6mp4 by Molmil](/molmil-images/mine/6mp4) | Human liver FABP1 bound to tetrahydrocannabinol | 分子名称: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, Fatty acid-binding protein, liver, ... | 著者 | McGoldrick, L.L, Giuliano, C.J, Elmes, M.W, Deutsch, D.G, Kaczocha, M, Glynn, S.E. | 登録日 | 2018-10-05 | 公開日 | 2019-11-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | FABP1 controls hepatic transport and biotransformation of Delta 9 -THC. Sci Rep, 9, 2019
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8OF2
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![BU of 8of2 by Molmil](/molmil-images/mine/8of2) | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | 登録日 | 2023-03-13 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents. Eur.J.Med.Chem., 264, 2023
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6ND2
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![BU of 6nd2 by Molmil](/molmil-images/mine/6nd2) | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063) | 分子名称: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | 著者 | Reeve, S.M, Wright, D.L. | 登録日 | 2018-12-13 | 公開日 | 2019-09-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.243 Å) | 主引用文献 | Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates. Drug Metab.Dispos., 47, 2019
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1PDX
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![BU of 1pdx by Molmil](/molmil-images/mine/1pdx) | PUTIDAREDOXIN | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | 著者 | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | 登録日 | 1999-02-15 | 公開日 | 1999-05-12 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | A refined model for the solution structure of oxidized putidaredoxin. Biochemistry, 38, 1999
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4V3V
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![BU of 4v3v by Molmil](/molmil-images/mine/4v3v) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine | 分子名称: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4V3Y
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![BU of 4v3y by Molmil](/molmil-images/mine/4v3y) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine | 分子名称: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4V3X
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![BU of 4v3x by Molmil](/molmil-images/mine/4v3x) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine | 分子名称: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4V3Z
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![BU of 4v3z by Molmil](/molmil-images/mine/4v3z) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4V3W
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![BU of 4v3w by Molmil](/molmil-images/mine/4v3w) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine | 分子名称: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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1ILG
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![BU of 1ilg by Molmil](/molmil-images/mine/1ilg) | |
6VBN
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![BU of 6vbn by Molmil](/molmil-images/mine/6vbn) | Crystal Structure of hTDO2 bound to inhibitor GNE1 | 分子名称: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | 著者 | Harris, S.F, Oh, A. | 登録日 | 2019-12-19 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6FW2
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![BU of 6fw2 by Molmil](/molmil-images/mine/6fw2) | Crystal Structure of human mARC1 | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ... | 著者 | Kubitza, C, Scheidig, A. | 登録日 | 2018-03-05 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1ILH
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![BU of 1ilh by Molmil](/molmil-images/mine/1ilh) | |
7O9W
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![BU of 7o9w by Molmil](/molmil-images/mine/7o9w) | Encequidar-bound human P-glycoprotein in complex with UIC2-Fab | 分子名称: | Multidrug resistance protein 1, UIC2 Fab-fragment heavy chain, UIC2 Fab-fragment light chain, ... | 著者 | Nosol, K, Locher, K.P. | 登録日 | 2021-04-17 | 公開日 | 2022-01-12 | 最終更新日 | 2022-01-26 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations. J.Med.Chem., 65, 2022
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4OMG
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![BU of 4omg by Molmil](/molmil-images/mine/4omg) | Crystal structure of the bacterial diterpene cyclase COTB2 | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | 著者 | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | 登録日 | 2014-01-27 | 公開日 | 2014-06-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The first structure of a bacterial diterpene cyclase: CotB2. Acta Crystallogr.,Sect.D, 70, 2014
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1WZF
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![BU of 1wzf by Molmil](/molmil-images/mine/1wzf) | Crystal Structure Of An Artificial Metalloprotein: Fe(10-COOH-Salophen)/Wild Type Heme oxygenase | 分子名称: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | 著者 | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | 登録日 | 2005-03-04 | 公開日 | 2006-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design of metal cofactors activated by a protein-protein electron transfer system. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WZD
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![BU of 1wzd by Molmil](/molmil-images/mine/1wzd) | Crystal Structure Of An Artificial Metalloprotein: Fe(10-CH2CH2COOH-Salophen)/Wild Type Heme oxygenase | 分子名称: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | 著者 | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | 登録日 | 2005-03-04 | 公開日 | 2006-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Design of metal cofactors activated by a protein-protein electron transfer system. Proc.Natl.Acad.Sci.Usa, 103, 2006
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4S0S
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1WZG
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![BU of 1wzg by Molmil](/molmil-images/mine/1wzg) | Crystal Structure Of An Artificial Metalloprotein: Fe(Salophen)/Wild Type Heme oxygenase | 分子名称: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, GLYCEROL, Heme oxygenase, ... | 著者 | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | 登録日 | 2005-03-04 | 公開日 | 2006-02-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Design of metal cofactors activated by a protein-protein electron transfer system. Proc.Natl.Acad.Sci.Usa, 103, 2006
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4OMH
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![BU of 4omh by Molmil](/molmil-images/mine/4omh) | Crystal structure of the bacterial diterpene cyclase COTB2 variant F149L | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION | 著者 | Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B. | 登録日 | 2014-01-27 | 公開日 | 2014-06-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The first structure of a bacterial diterpene cyclase: CotB2. Acta Crystallogr.,Sect.D, 70, 2014
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