3R9C
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![BU of 3r9c by Molmil](/molmil-images/mine/3r9c) | Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ... | 著者 | Agnew, C.R.J, Kelly, S.L, Brady, R.L. | 登録日 | 2011-03-25 | 公開日 | 2012-03-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae. Antimicrob.Agents Chemother., 56, 2012
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3RM4
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![BU of 3rm4 by Molmil](/molmil-images/mine/3rm4) | AMCase in complex with Compound 1 | 分子名称: | 5-{4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl}-4H-1,2,4-triazol-3-amine, Acidic mammalian chitinase | 著者 | Olland, A. | 登録日 | 2011-04-20 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors J.Med.Chem., 53, 2010
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3R20
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3RQO
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![BU of 3rqo by Molmil](/molmil-images/mine/3rqo) | Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Delker, S.L, Poulos, T.L. | 登録日 | 2011-04-28 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
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3R8C
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3PVJ
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![BU of 3pvj by Molmil](/molmil-images/mine/3pvj) | Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 | 分子名称: | Alpha-ketoglutarate-dependent taurine dioxygenase, CHLORIDE ION | 著者 | Knauer, S.H, Spiegelhauer, O, Schwarzinger, S, Haenzelmann, P, Dobbek, H. | 登録日 | 2010-12-07 | 公開日 | 2011-12-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Biochemical and structural characterization of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from Pseudomonas putida KT2440 To be Published
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3RM8
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![BU of 3rm8 by Molmil](/molmil-images/mine/3rm8) | AMCase in complex with Compound 2 | 分子名称: | 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole, Acidic mammalian chitinase | 著者 | Olland, A. | 登録日 | 2011-04-20 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification and Characterization of Acidic Mammalian Chitinase Inhibitors J.Med.Chem., 53, 2010
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3RR3
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![BU of 3rr3 by Molmil](/molmil-images/mine/3rr3) | Structure of (R)-flurbiprofen bound to mCOX-2 | 分子名称: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | 登録日 | 2011-04-28 | 公開日 | 2011-11-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.842 Å) | 主引用文献 | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat.Chem.Biol., 7, 2011
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3RZ6
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![BU of 3rz6 by Molmil](/molmil-images/mine/3rz6) | Neutron structure of perdeuterated rubredoxin using 40 hours 1st pass data | 分子名称: | FE (III) ION, Rubredoxin | 著者 | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | 登録日 | 2011-05-11 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | 主引用文献 | Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr.,Sect.D, 68, 2012
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3S2R
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![BU of 3s2r by Molmil](/molmil-images/mine/3s2r) | ATChloroNEET (H87C mutant) | 分子名称: | AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER | 著者 | livnah, O, Eisenberg-Domovich, Y, nechushtai, R. | 登録日 | 2011-05-17 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism. To be Published
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3S00
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![BU of 3s00 by Molmil](/molmil-images/mine/3s00) | CDK2 in complex with inhibitor L4-14 | 分子名称: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-05-12 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S2Q
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![BU of 3s2q by Molmil](/molmil-images/mine/3s2q) | The crystal structure of AT5g51720 (AT-NEET) | 分子名称: | AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER, ZINC ION | 著者 | Livnah, O, Eisenberg-Domovich, Y, Nechushtai, R. | 登録日 | 2011-05-17 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism. To be Published
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3RYG
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![BU of 3ryg by Molmil](/molmil-images/mine/3ryg) | 128 hours neutron structure of perdeuterated rubredoxin | 分子名称: | FE (III) ION, Rubredoxin | 著者 | Munshi, P, Chung, C.-L, Weiss, K.L, Blakeley, M.P, Myles, D.A.A, Meilleur, F. | 登録日 | 2011-05-11 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | 主引用文献 | Rapid visualization of hydrogen positions in protein neutron crystallographic structures. Acta Crystallogr.,Sect.D, 68, 2012
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6PN4
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![BU of 6pn4 by Molmil](/molmil-images/mine/6pn4) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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7VW7
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![BU of 7vw7 by Molmil](/molmil-images/mine/7vw7) | Crystal structure of the 2 ADP-AlF4-bound V1 complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Suzuki, K, Shekhar, M, Gupta, C, Singharoy, A, Murata, T. | 登録日 | 2021-11-09 | 公開日 | 2022-06-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.818 Å) | 主引用文献 | Revealing a Hidden Intermediate of Rotatory Catalysis with X-ray Crystallography and Molecular Simulations. Acs Cent.Sci., 8, 2022
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6PMY
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![BU of 6pmy by Molmil](/molmil-images/mine/6pmy) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PN9
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![BU of 6pn9 by Molmil](/molmil-images/mine/6pn9) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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7V9X
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6PMX
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![BU of 6pmx by Molmil](/molmil-images/mine/6pmx) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PN7
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![BU of 6pn7 by Molmil](/molmil-images/mine/6pn7) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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7VF1
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![BU of 7vf1 by Molmil](/molmil-images/mine/7vf1) | |
6PFC
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![BU of 6pfc by Molmil](/molmil-images/mine/6pfc) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.689 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PMZ
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![BU of 6pmz by Molmil](/molmil-images/mine/6pmz) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PMV
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![BU of 6pmv by Molmil](/molmil-images/mine/6pmv) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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6PN6
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![BU of 6pn6 by Molmil](/molmil-images/mine/6pn6) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2019-07-02 | 公開日 | 2020-04-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.843 Å) | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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