2BLX
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5I2A
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![BU of 5i2a by Molmil](/molmil-images/mine/5i2a) | 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Diol-dehydratase | 著者 | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | 登録日 | 2016-02-08 | 公開日 | 2016-06-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY. J.Biol.Chem., 291, 2016
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2RKF
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![BU of 2rkf by Molmil](/molmil-images/mine/2rkf) | HIV-1 PR resistant mutant + LPV | 分子名称: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ... | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | 登録日 | 2007-10-16 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5ADC
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![BU of 5adc by Molmil](/molmil-images/mine/5adc) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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2C5C
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4UQM
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![BU of 4uqm by Molmil](/molmil-images/mine/4uqm) | Crystal structure determination of uracil-DNA N-glycosylase (UNG) from Deinococcus radiodurans in complex with DNA - new insights into the role of the Leucine-loop for damage recognition and repair | 分子名称: | 5'-D(*CP*CP*TP*AP*TP*CP*CP*AP*AAB*GP*TP*CP*TP*CP*CP*G)-3', 5'-D(*GP*CP*GP*GP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*AP*G)-3', CHLORIDE ION, ... | 著者 | Pedersen, H.L, Johnson, K.A, McVey, C.E, Leiros, I, Moe, E. | 登録日 | 2014-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure determination of uracil-DNA N-glycosylase from Deinococcus radiodurans in complex with DNA. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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2BLU
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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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2RPD
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![BU of 2rpd by Molmil](/molmil-images/mine/2rpd) | Mhr1p-bound ssDNA | 分子名称: | DNA (5'-D(*DTP*DAP*DCP*DG)-3') | 著者 | Masuda, T, Ito, Y, Shibata, T, Mikawa, T. | 登録日 | 2008-05-15 | 公開日 | 2009-05-26 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | A non-canonical DNA structure enables homologous recombination in various genetic systems J.Biol.Chem., 284, 2009
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4LBW
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![BU of 4lbw by Molmil](/molmil-images/mine/4lbw) | Identifying ligand binding hot spots in proteins using brominated fragments | 分子名称: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | 著者 | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | 登録日 | 2013-06-21 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.741 Å) | 主引用文献 | Identifying ligand-binding hot spots in proteins using brominated fragments. Acta Crystallogr.,Sect.F, 69, 2013
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5I2F
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![BU of 5i2f by Molmil](/molmil-images/mine/5i2f) | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS | 分子名称: | 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1 | 著者 | Maize, K.M, Finzel, B.C. | 登録日 | 2016-02-08 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1. Acs Med.Chem.Lett., 7, 2016
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5BU4
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![BU of 5bu4 by Molmil](/molmil-images/mine/5bu4) | RIBONUCLEASE T1 COMPLEX WITH 2'GMP | 分子名称: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | 著者 | Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J. | 登録日 | 1998-09-15 | 公開日 | 1998-09-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Conserved water molecules in a large family of microbial ribonucleases. Proteins, 36, 1999
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5I8F
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![BU of 5i8f by Molmil](/molmil-images/mine/5i8f) | Crystal structure of St. John's wort Hyp-1 protein in complex with melatonin | 分子名称: | GLYCEROL, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Phenolic oxidative coupling protein, ... | 著者 | Sliwiak, J, Dauter, Z, Jaskolski, M. | 登録日 | 2016-02-18 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal Structure of Hyp-1, a Hypericum perforatum PR-10 Protein, in Complex with Melatonin. Front Plant Sci, 7, 2016
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5ADD
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![BU of 5add by Molmil](/molmil-images/mine/5add) | Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5AD4
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![BU of 5ad4 by Molmil](/molmil-images/mine/5ad4) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5I5K
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4ZVZ
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![BU of 4zvz by Molmil](/molmil-images/mine/4zvz) | Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | 分子名称: | (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | 著者 | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E. | 登録日 | 2015-05-18 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C. Biochem. Pharmacol., 109, 2016
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2RKG
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![BU of 2rkg by Molmil](/molmil-images/mine/2rkg) | HIV-1 PR resistant mutant + LPV | 分子名称: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | 登録日 | 2007-10-16 | 公開日 | 2008-08-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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5ADL
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![BU of 5adl by Molmil](/molmil-images/mine/5adl) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.205 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADJ
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![BU of 5adj by Molmil](/molmil-images/mine/5adj) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-08-20 | 公開日 | 2015-10-28 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ILA
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![BU of 5ila by Molmil](/molmil-images/mine/5ila) | Deg9 protease domain | 分子名称: | Protease Do-like 9 | 著者 | Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X. | 登録日 | 2016-03-04 | 公開日 | 2017-03-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease Nat Plants, 3, 2017
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5I2G
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![BU of 5i2g by Molmil](/molmil-images/mine/5i2g) | 1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity | 分子名称: | Diol dehydratase, S-1,2-PROPANEDIOL | 著者 | LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N. | 登録日 | 2016-02-08 | 公開日 | 2016-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | 1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY. J.Biol.Chem., 291, 2016
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5ANS
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![BU of 5ans by Molmil](/molmil-images/mine/5ans) | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | 分子名称: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | 著者 | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | 登録日 | 2015-09-08 | 公開日 | 2016-03-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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4WAI
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![BU of 4wai by Molmil](/molmil-images/mine/4wai) | Structural characterization of the late competence protein ComFB from Bacillus subtilis. | 分子名称: | ComF operon protein 2, ZINC ION | 著者 | Sysoeva, T.A, Bane, L.B, Xiao, D, Gaudet, R, Burton, B.M. | 登録日 | 2014-08-29 | 公開日 | 2014-12-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.427 Å) | 主引用文献 | Structural characterization of the late competence protein ComFB from Bacillus subtilis. Biosci.Rep., 35, 2015
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