4DE0
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3CFM
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4QIR
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![BU of 4qir by Molmil](/molmil-images/mine/4qir) | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-2-(pyridin-3-yl)ethylGlyP[CH2]Phe | 分子名称: | 3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... | 著者 | Nocek, B, Joachimiak, A, Berlicki, L, Vassiliou, S, Mucha, A. | 登録日 | 2014-06-01 | 公開日 | 2014-09-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
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2I6A
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3SRV
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![BU of 3srv by Molmil](/molmil-images/mine/3srv) | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | 分子名称: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | 著者 | Somers, D.O, Neu, M. | 登録日 | 2011-07-07 | 公開日 | 2011-09-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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4DDS
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4BQJ
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![BU of 4bqj by Molmil](/molmil-images/mine/4bqj) | structure of HSP90 with an inhibitor bound | 分子名称: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. | 登録日 | 2013-05-30 | 公開日 | 2013-10-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
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1G2K
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![BU of 1g2k by Molmil](/molmil-images/mine/1g2k) | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | 分子名称: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | 著者 | Lindberg, J, Unge, T. | 登録日 | 2000-10-20 | 公開日 | 2001-06-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
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4QO8
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![BU of 4qo8 by Molmil](/molmil-images/mine/4qo8) | Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | 分子名称: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-06-19 | 公開日 | 2014-07-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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6TDE
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![BU of 6tde by Molmil](/molmil-images/mine/6tde) | Tubulin-inhibitor complex | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Varela, P.F, Gigant, B. | 登録日 | 2019-11-08 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.286 Å) | 主引用文献 | Discovery of dihydrofuranoallocolchicinoids - Highly potent antimitotic agents with low acute toxicity. Eur.J.Med.Chem., 207, 2020
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2I6B
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![BU of 2i6b by Molmil](/molmil-images/mine/2i6b) | Human Adenosine Kinase in Complex with An Acetylinic Inhibitor | 分子名称: | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE, Adenosine kinase | 著者 | Muchmore, S.W. | 登録日 | 2006-08-28 | 公開日 | 2007-01-02 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J.Med.Chem., 49, 2006
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6CLW
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![BU of 6clw by Molmil](/molmil-images/mine/6clw) | Crystal structure of TnmH | 分子名称: | O-methyltransferase | 著者 | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | 登録日 | 2018-03-02 | 公開日 | 2019-03-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates. J.Med.Chem., 63, 2020
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4Z1A
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![BU of 4z1a by Molmil](/molmil-images/mine/4z1a) | Structure of apo form KDO8PS from H.pylori | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase | 著者 | Lee, B.J, Cho, S, Im, H, Yoon, H.J. | 登録日 | 2015-03-27 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
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7TI0
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![BU of 7ti0 by Molmil](/molmil-images/mine/7ti0) | Structure of CTX-M-15 bound to RPX-7063 at 1.5A | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | 著者 | Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. | 登録日 | 2022-01-12 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
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4DDY
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6CLX
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![BU of 6clx by Molmil](/molmil-images/mine/6clx) | Crystal structure of TnmH in complex with SAM | 分子名称: | O-methyltransferase, S-ADENOSYLMETHIONINE | 著者 | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | 登録日 | 2018-03-02 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates. J.Med.Chem., 63, 2020
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4DE1
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4DE3
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4QUO
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![BU of 4quo by Molmil](/molmil-images/mine/4quo) | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2) | 分子名称: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ... | 著者 | Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A. | 登録日 | 2014-07-11 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
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4Z1D
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![BU of 4z1d by Molmil](/molmil-images/mine/4z1d) | Structure of PEP and zinc bound KDO8PS from H.pylori | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHOENOLPYRUVATE, ZINC ION | 著者 | Lee, B.J, Cho, S, Im, H, Yoon, H.J. | 登録日 | 2015-03-27 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
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4Z1B
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![BU of 4z1b by Molmil](/molmil-images/mine/4z1b) | Structure of H204A mutant KDO8PS from H.pylori | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase | 著者 | Lee, B.J, Cho, S, Im, H, Yoon, H.J. | 登録日 | 2015-03-27 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
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3L7B
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![BU of 3l7b by Molmil](/molmil-images/mine/3l7b) | Crystal Structure of Glycogen Phosphorylase DK3 complex | 分子名称: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form | 著者 | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | 登録日 | 2009-12-28 | 公開日 | 2010-10-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
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4Z1C
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![BU of 4z1c by Molmil](/molmil-images/mine/4z1c) | Structure of Cadmium bound KDO8PS from H.pylori | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION | 著者 | Lee, B.J, Cho, S, Im, H, Yoon, H.J. | 登録日 | 2015-03-27 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
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3L79
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![BU of 3l79 by Molmil](/molmil-images/mine/3l79) | Crystal Structure of Glycogen Phosphorylase DK1 complex | 分子名称: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | 著者 | Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. | 登録日 | 2009-12-28 | 公開日 | 2010-10-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
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4DE2
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