7RWS
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5UNV
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![BU of 5unv by Molmil](/molmil-images/mine/5unv) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[3-((methylamino)methyl)phenethyl]quinolin-2-amine | 分子名称: | 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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4JT9
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![BU of 4jt9 by Molmil](/molmil-images/mine/4jt9) | Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | 分子名称: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | 著者 | Dai, H. | 登録日 | 2013-03-22 | 公開日 | 2013-04-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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1YQJ
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![BU of 1yqj by Molmil](/molmil-images/mine/1yqj) | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | 分子名称: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | 著者 | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | 登録日 | 2005-02-01 | 公開日 | 2005-04-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 15, 2005
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5UNX
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![BU of 5unx by Molmil](/molmil-images/mine/5unx) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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5UOD
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![BU of 5uod by Molmil](/molmil-images/mine/5uod) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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7SHI
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1XIO
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![BU of 1xio by Molmil](/molmil-images/mine/1xio) | Anabaena sensory rhodopsin | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ANABAENA SENSORY RHODOPSIN, RETINAL | 著者 | Vogeley, L, Luecke, H. | 登録日 | 2004-09-21 | 公開日 | 2004-10-05 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A. Science, 306, 2004
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5UO0
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![BU of 5uo0 by Molmil](/molmil-images/mine/5uo0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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4L0E
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5UNS
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![BU of 5uns by Molmil](/molmil-images/mine/5uns) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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1XPG
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![BU of 1xpg by Molmil](/molmil-images/mine/1xpg) | Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Methyltetrahydrofolate | 分子名称: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ... | 著者 | Pejchal, R, Ludwig, M.L. | 登録日 | 2004-10-08 | 公開日 | 2005-03-01 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication Plos Biol., 3, 2005
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4K5D
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![BU of 4k5d by Molmil](/molmil-images/mine/4k5d) | Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2013-04-14 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | 主引用文献 | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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5WZT
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![BU of 5wzt by Molmil](/molmil-images/mine/5wzt) | Crystal structure of human secreted phospholipase A2 group IIE with Compound 14 | 分子名称: | 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | 登録日 | 2017-01-18 | 公開日 | 2018-01-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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4EH1
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![BU of 4eh1 by Molmil](/molmil-images/mine/4eh1) | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | 著者 | Kim, Y, Gu, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-04-02 | 公開日 | 2012-04-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Flavohem-like-FAD/NAD Binding Domain of Nitric Oxide Dioxygenase from Vibrio cholerae O1 biovar El Tor To be Published
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4ELD
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4EMW
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![BU of 4emw by Molmil](/molmil-images/mine/4emw) | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA | 分子名称: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Edwards, J.S, Wallace, B.D, Claiborne, A, Redinbo, M.R. | 登録日 | 2012-04-12 | 公開日 | 2012-10-17 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
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4EQR
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![BU of 4eqr by Molmil](/molmil-images/mine/4eqr) | Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR | 分子名称: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | 著者 | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | 登録日 | 2012-04-19 | 公開日 | 2012-10-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
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4IQ9
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![BU of 4iq9 by Molmil](/molmil-images/mine/4iq9) | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | 分子名称: | (3S,6S)-3-(4-hydroxybenzyl)-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ... | 著者 | Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | 登録日 | 2013-01-11 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES. J.Biol.Chem., 288, 2013
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1XMF
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![BU of 1xmf by Molmil](/molmil-images/mine/1xmf) | Structure of Mn(II)-Soaked Apo Methane Monooxygenase Hydroxylase Crystals from M. capsulatus (Bath) | 分子名称: | CALCIUM ION, MANGANESE (II) ION, Methane monooxygenase component A alpha chain, ... | 著者 | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | 登録日 | 2004-10-02 | 公開日 | 2005-01-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
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5X6Q
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4J31
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![BU of 4j31 by Molmil](/molmil-images/mine/4j31) | Crystal Structure of kynurenine 3-monooxygenase (KMO-396Prot) | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | 著者 | Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S. | 登録日 | 2013-02-05 | 公開日 | 2013-04-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of kynurenine 3-monooxygenase inhibition. Nature, 496, 2013
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4FFV
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![BU of 4ffv by Molmil](/molmil-images/mine/4ffv) | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | 分子名称: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | 登録日 | 2012-06-01 | 公開日 | 2012-12-12 | 最終更新日 | 2021-05-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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4LIU
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![BU of 4liu by Molmil](/molmil-images/mine/4liu) | Structure of YcfD, a Ribosomal oxygenase from Escherichia coli. | 分子名称: | 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | 著者 | Brissett, N.C, Doherty, A.J, Fox, G.C. | 登録日 | 2013-07-03 | 公開日 | 2014-05-14 | 最終更新日 | 2014-07-09 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 509, 2014
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1XR2
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![BU of 1xr2 by Molmil](/molmil-images/mine/1xr2) | Crystal Structure of oxidized T. maritima Cobalamin-Independent Methionine Synthase complexed with Methyltetrahydrofolate | 分子名称: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, MESO-ERYTHRITOL, ... | 著者 | Pejchal, R, Ludwig, M.L. | 登録日 | 2004-10-13 | 公開日 | 2005-03-01 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Cobalamin-independent methionine synthase (MetE): a face-to-face double barrel that evolved by gene duplication Plos Biol., 3, 2005
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