4HI7
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![BU of 4hi7 by Molmil](/molmil-images/mine/4hi7) | Crystal structure of glutathione transferase homolog from drosophilia mojavensis, TARGET EFI-501819, with bound glutathione | Descriptor: | GI20122, GLUTATHIONE | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-10-11 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of glutathione transferase homolog from drosophilia mojavensis, TARGET EFI-501819, with bound glutathione To be Published
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3RK9
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![BU of 3rk9 by Molmil](/molmil-images/mine/3rk9) | CDK2 in complex with inhibitor RC-2-74 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-17 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3R9O
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![BU of 3r9o by Molmil](/molmil-images/mine/3r9o) | CDK2 in complex with inhibitor RC-2-143 | Descriptor: | 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-25 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4M65
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![BU of 4m65 by Molmil](/molmil-images/mine/4m65) | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes Acta Crystallogr.,Sect.D, D70
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6LX7
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![BU of 6lx7 by Molmil](/molmil-images/mine/6lx7) | X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, STEARIC ACID | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2020-02-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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6LXC
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![BU of 6lxc by Molmil](/molmil-images/mine/6lxc) | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-02-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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4ECJ
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![BU of 4ecj by Molmil](/molmil-images/mine/4ecj) | Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from pseudomonas aeruginosa pacs2 complexed with glutathione | Descriptor: | GLUTATHIONE, glutathione S-transferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-26 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal Structure of Glutathione S-Transferase Prk13972 from Pseudomonas Aeruginosa To be Published
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1UFW
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![BU of 1ufw by Molmil](/molmil-images/mine/1ufw) | Solution structure of RNP domain in Synaptojanin 2 | Descriptor: | Synaptojanin 2 | Authors: | He, F, Muto, Y, Ushikoshi, R, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-10 | Release date: | 2003-12-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of RNP domain in Synaptojanin 2 To be Published
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4MF5
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![BU of 4mf5 by Molmil](/molmil-images/mine/4mf5) | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound | Descriptor: | FORMIC ACID, GLUTATHIONE, Glutathione S-transferase domain | Authors: | Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-08-27 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Crystal structure of glutathione transferase BgramDRAFT_1843 from Burkholderia graminis, Target EFI-507289, with traces of one GSH bound To be Published
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4PPZ
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![BU of 4ppz by Molmil](/molmil-images/mine/4ppz) | Crystal structure of zinc-bound succinyl-diaminopimelate desuccinylase from Neisseria meningitidis MC58 | Descriptor: | PHOSPHATE ION, Succinyl-diaminopimelate desuccinylase, ZINC ION | Authors: | Nocek, B, Holz, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-02-27 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the dapE-Encoded N-Succinyl-L,L-diaminopimelic Acid Desuccinylase from Neisseria meningitidis by L-Captopril. Biochemistry, 54, 2015
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6MF9
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![BU of 6mf9 by Molmil](/molmil-images/mine/6mf9) | Crystal structure of CGD4-650 with compound BI2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | Authors: | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-10 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | Crystal structure of CGD4-650 with compound BI2536 to be published
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3EKK
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![BU of 3ekk by Molmil](/molmil-images/mine/3ekk) | Insulin receptor kinase complexed with an inhibitor | Descriptor: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L. | Deposit date: | 2008-09-19 | Release date: | 2008-12-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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6MC6
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![BU of 6mc6 by Molmil](/molmil-images/mine/6mc6) | |
6M3P
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![BU of 6m3p by Molmil](/molmil-images/mine/6m3p) | Crystal structure of AnkG/beta2-spectrin complex | Descriptor: | Ankyrin-3, Spectrin beta chain, non-erythrocytic 1 | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins. J.Mol.Biol., 432, 2020
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3ELJ
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![BU of 3elj by Molmil](/molmil-images/mine/3elj) | Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor. | Descriptor: | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8 | Authors: | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J. | Deposit date: | 2008-09-22 | Release date: | 2008-12-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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7K58
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![BU of 7k58 by Molmil](/molmil-images/mine/7k58) | |
4EXJ
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![BU of 4exj by Molmil](/molmil-images/mine/4exj) | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus | Descriptor: | CHLORIDE ION, SULFATE ION, uncharacterized protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-04-30 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of glutathione s-transferase like protein lelg_03239 (target efi-501752) from lodderomyces elongisporus To be Published
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6IDH
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![BU of 6idh by Molmil](/molmil-images/mine/6idh) | Antibody 64M-5 Fab in ligand-free form | Descriptor: | Anti-(6-4) photoproduct antibody 64M-5 Fab (heavy chain), Anti-(6-4) photoproduct antibody 64M-5 Fab (light chain) | Authors: | Yokoyama, H, Mizutani, R, Noguchi, S, Hayashida, N. | Deposit date: | 2018-09-10 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the antibody 64M-5 Fab and its complex with dT(6-4)T indicate induced-fit and high-affinity mechanisms. Acta Crystallogr.,Sect.F, 75, 2019
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4HOJ
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![BU of 4hoj by Molmil](/molmil-images/mine/4hoj) | Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione | Descriptor: | ACETATE ION, CALCIUM ION, GLUTATHIONE, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-10-22 | Release date: | 2012-11-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione To be Published
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6MBY
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![BU of 6mby by Molmil](/molmil-images/mine/6mby) | Carbonic Anhydrase II in complex with Ferulic Acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, McKenna, R. | Deposit date: | 2018-08-30 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6M15
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![BU of 6m15 by Molmil](/molmil-images/mine/6m15) | Cryo-EM structures of HKU2 spike glycoproteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, X, Yu, J, Qiao, S, Guo, R. | Deposit date: | 2020-02-24 | Release date: | 2020-05-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Cryo-EM structures of HKU2 and SADS-CoV spike glycoproteins provide insights into coronavirus evolution. Nat Commun, 11, 2020
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7KEZ
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![BU of 7kez by Molmil](/molmil-images/mine/7kez) | |
6MC8
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![BU of 6mc8 by Molmil](/molmil-images/mine/6mc8) | |
7KF1
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![BU of 7kf1 by Molmil](/molmil-images/mine/7kf1) | |
3TE5
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![BU of 3te5 by Molmil](/molmil-images/mine/3te5) | structure of the regulatory fragment of sacchromyces cerevisiae ampk in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-12 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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