3FU6
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3FUN
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4GTS
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![BU of 4gts by Molmil](/molmil-images/mine/4gts) | Engineered RabGGTase in complex with BMS analogue 16 | 分子名称: | 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | 著者 | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | 登録日 | 2012-08-29 | 公開日 | 2012-10-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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3FTS
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![BU of 3fts by Molmil](/molmil-images/mine/3fts) | Leukotriene A4 hydrolase in complex with resveratrol | 分子名称: | ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | 著者 | Davies, D.R. | 登録日 | 2009-01-13 | 公開日 | 2009-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3FU5
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3B1U
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![BU of 3b1u by Molmil](/molmil-images/mine/3b1u) | Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine | 分子名称: | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... | 著者 | Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. | 登録日 | 2011-07-13 | 公開日 | 2011-10-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54, 2011
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3FUJ
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3FTV
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3FUM
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3FRG
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![BU of 3frg by Molmil](/molmil-images/mine/3frg) | |
3FUL
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![BU of 3ful by Molmil](/molmil-images/mine/3ful) | |
3FUE
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![BU of 3fue by Molmil](/molmil-images/mine/3fue) | |
3FTW
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3FUD
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4PCI
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![BU of 4pci by Molmil](/molmil-images/mine/4pci) | Crystal Structure of the first bromodomain of BRD4 in complex with B16 | 分子名称: | (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-04-15 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
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2ZI7
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![BU of 2zi7 by Molmil](/molmil-images/mine/2zi7) | C4S dCK variant of dCK in complex with D-dG+UDP | 分子名称: | 2'-DEOXY-GUANOSINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | 著者 | Sabini, E, Lavie, A. | 登録日 | 2008-02-13 | 公開日 | 2008-07-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase J.Med.Chem., 51, 2008
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3ERN
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![BU of 3ern by Molmil](/molmil-images/mine/3ern) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... | 著者 | Hunter, W.N, Ramsden, N.L, Kemp, L.A. | 登録日 | 2008-10-02 | 公開日 | 2009-08-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3ESJ
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![BU of 3esj by Molmil](/molmil-images/mine/3esj) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ... | 著者 | Hunter, W.N, Ramsden, N.L. | 登録日 | 2008-10-06 | 公開日 | 2009-08-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3BKI
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![BU of 3bki by Molmil](/molmil-images/mine/3bki) | Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms | 分子名称: | Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide | 著者 | Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P. | 登録日 | 2007-12-06 | 公開日 | 2008-09-16 | 最終更新日 | 2019-09-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor. J.Med.Chem., 51, 2008
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3B1T
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![BU of 3b1t by Molmil](/molmil-images/mine/3b1t) | Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine | 分子名称: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... | 著者 | Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. | 登録日 | 2011-07-13 | 公開日 | 2011-10-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54, 2011
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3EOR
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![BU of 3eor by Molmil](/molmil-images/mine/3eor) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... | 著者 | Hunter, W.N, Ramsden, N.L, Dawson, A. | 登録日 | 2008-09-29 | 公開日 | 2009-08-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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4G2J
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![BU of 4g2j by Molmil](/molmil-images/mine/4g2j) | Human pde9 in complex with selective compound | 分子名称: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | 著者 | Liu, S. | 登録日 | 2012-07-12 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
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3FBA
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![BU of 3fba by Molmil](/molmil-images/mine/3fba) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ... | 著者 | Hunter, W.N, Ramsden, N.L. | 登録日 | 2008-11-19 | 公開日 | 2009-08-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3FHE
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4FCB
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![BU of 4fcb by Molmil](/molmil-images/mine/4fcb) | Potent and Selective Phosphodiesterase 10A Inhibitors | 分子名称: | 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | 著者 | Parris, K.D. | 登録日 | 2012-05-24 | 公開日 | 2012-09-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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