4CRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cry by Molmil](/molmil-images/mine/4cry) | Direct visualisation of strain-induced protein post-translational modification | 分子名称: | ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ... | 著者 | Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E. | 登録日 | 2014-03-02 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Direct Visualisation of Strain-Induced Protein Post-Translational Modification To be Published
|
|
4CNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cnl by Molmil](/molmil-images/mine/4cnl) | Crystal structure of the Choline-binding domain of CbpL from Streptococcus pneumoniae | 分子名称: | CHOLINE ION, GLYCEROL, PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN, ... | 著者 | Gutierrez-Fernandez, J, Bartual, S.G, Hermoso, J.A. | 登録日 | 2014-01-23 | 公開日 | 2015-02-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis. Sci.Rep., 6, 2016
|
|
1PKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pkk by Molmil](/molmil-images/mine/1pkk) | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Bifunctional deaminase/diphosphatase | 著者 | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | 登録日 | 2003-06-05 | 公開日 | 2003-09-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii J.Mol.Biol., 331, 2003
|
|
4CS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cs0 by Molmil](/molmil-images/mine/4cs0) | Direct visualisation of strain-induced protein post-translational modification | 分子名称: | ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ... | 著者 | Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E. | 登録日 | 2014-03-02 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A. Chem.Biol., 22, 2015
|
|
6Z5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z5j by Molmil](/molmil-images/mine/6z5j) | Arrangement of the matrix protein M1 in influenza A/Hong Kong/1/1968 VLPs (HA,NA,M1,M2) | 分子名称: | Matrix protein 1 | 著者 | Peukes, J, Xiong, X, Erlendsson, S, Qu, K, Wan, W, Kraeusslich, H.-G, Briggs, J.A.G. | 登録日 | 2020-05-26 | 公開日 | 2020-10-14 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | The native structure of the assembled matrix protein 1 of influenza A virus. Nature, 587, 2020
|
|
1PY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1py2 by Molmil](/molmil-images/mine/1py2) | Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2 | 分子名称: | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION | 著者 | Thanos, C.D, Randal, M, Wells, J.A. | 登録日 | 2003-07-07 | 公開日 | 2004-01-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
|
|
5LZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lz5 by Molmil](/molmil-images/mine/5lz5) | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | 分子名称: | 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | 著者 | Woolford, A.J.A, Day, P.J. | 登録日 | 2016-09-29 | 公開日 | 2016-12-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2). J. Med. Chem., 59, 2016
|
|
1RMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rmk by Molmil](/molmil-images/mine/1rmk) | Solution structure of conotoxin MrVIB | 分子名称: | Mu-O-conotoxin MrVIB | 著者 | Daly, N.L, Ekberg, J.A, Thomas, L, Adams, D.J, Lewis, R.J, Craik, D.J. | 登録日 | 2003-11-28 | 公開日 | 2004-09-07 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of muO-conotoxins from Conus marmoreus. Inhibitors of tetrodotoxin (TTX)-sensitive and TTX-resistant sodium channels in mammalian sensory neurons J.Biol.Chem., 279, 2004
|
|
1RN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rn9 by Molmil](/molmil-images/mine/1rn9) | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | 分子名称: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | 著者 | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | 登録日 | 2003-12-01 | 公開日 | 2004-08-24 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole. J.Am.Chem.Soc., 126, 2004
|
|
4CPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cpk by Molmil](/molmil-images/mine/4cpk) | Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA | 分子名称: | CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2014-02-07 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
|
|
3QKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qku by Molmil](/molmil-images/mine/3qku) | Mre11 Rad50 binding domain in complex with Rad50 and AMP-PNP | 分子名称: | DNA double-strand break repair protein mre11, DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, ... | 著者 | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | 登録日 | 2011-02-01 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
|
|
3QB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qb3 by Molmil](/molmil-images/mine/3qb3) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92KL25A at cryogenic temperature | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | 登録日 | 2011-01-12 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Relocation of internal ionizable residues to cavities created by single alanine substitutions To be Published
|
|
4BCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bci by Molmil](/molmil-images/mine/4bci) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4BII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bii by Molmil](/molmil-images/mine/4bii) | |
4BL3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bl3 by Molmil](/molmil-images/mine/4bl3) | Crystal structure of PBP2a clinical mutant N146K from MRSA | 分子名称: | CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Carrasco-Lopez, C, Hermoso, J.A. | 登録日 | 2013-04-30 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc., 136, 2014
|
|
3QEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qez by Molmil](/molmil-images/mine/3qez) | Crystal structure of the mutant T159V,V182A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | 著者 | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | 登録日 | 2011-01-20 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5431 Å) | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
|
|
4BCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bch by Molmil](/molmil-images/mine/4bch) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 4-(4-methyl-2-methylimino-3H-1,3-thiazol-5-yl)-2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (2.958 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
4BCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bcp by Molmil](/molmil-images/mine/4bcp) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-04-17 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities. J.Med.Chem., 56, 2013
|
|
4BCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bck by Molmil](/molmil-images/mine/4bck) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-03-06 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
3QKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qkt by Molmil](/molmil-images/mine/3qkt) | Rad50 ABC-ATPase with adjacent coiled-coil region in complex with AMP-PNP | 分子名称: | DNA double-strand break repair rad50 ATPase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Williams, G.J, Williams, R.S, Arvai, A, Moncalian, G, Tainer, J.A. | 登録日 | 2011-02-01 | 公開日 | 2011-03-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair. Nat.Struct.Mol.Biol., 18, 2011
|
|
3Q7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q7q by Molmil](/molmil-images/mine/3q7q) | Crystal Structure of Rad G-domain Q148A-GTP Analog Complex | 分子名称: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | 著者 | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | 登録日 | 2011-01-05 | 公開日 | 2011-09-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties. J.Mol.Biol., 413, 2011
|
|
3Q85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q85 by Molmil](/molmil-images/mine/3q85) | |
4BE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4be9 by Molmil](/molmil-images/mine/4be9) | Open conformation of O. piceae sterol esterase | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | 登録日 | 2013-03-06 | 公開日 | 2014-03-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release. J.Struct.Biol., 187, 2014
|
|
4BCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bcj by Molmil](/molmil-images/mine/4bcj) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | 分子名称: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | 登録日 | 2012-10-02 | 公開日 | 2013-01-09 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (3.162 Å) | 主引用文献 | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
|
|
1R6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r6w by Molmil](/molmil-images/mine/1r6w) | Crystal structure of the K133R mutant of o-Succinylbenzoate synthase (OSBS) from Escherichia coli. Complex with SHCHC | 分子名称: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, MAGNESIUM ION, o-Succinylbenzoate Synthase | 著者 | Klenchin, V.A, Taylor Ringia, E.A, Gerlt, J.A, Rayment, I. | 登録日 | 2003-10-17 | 公開日 | 2003-11-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural and Mutagenic Studies of the Mechanism of the Reaction Catalyzed by o-Succinylbenzoate Synthase from Escherichia coli Biochemistry, 42, 2003
|
|