8DD5
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![BU of 8dd5 by Molmil](/molmil-images/mine/8dd5) | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363 To Be Published
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8EPN
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![BU of 8epn by Molmil](/molmil-images/mine/8epn) | |
8EPQ
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![BU of 8epq by Molmil](/molmil-images/mine/8epq) | |
8EPP
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![BU of 8epp by Molmil](/molmil-images/mine/8epp) | |
1HTV
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![BU of 1htv by Molmil](/molmil-images/mine/1htv) | |
3UG2
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![BU of 3ug2 by Molmil](/molmil-images/mine/3ug2) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | Deposit date: | 2011-11-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
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3VJO
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![BU of 3vjo by Molmil](/molmil-images/mine/3vjo) | Crystal structure of the wild-type EGFR kinase domain in complex with AMPPNP. | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | Deposit date: | 2011-10-27 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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4OIV
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![BU of 4oiv by Molmil](/molmil-images/mine/4oiv) | Structural basis for small molecule NDB as a selective antagonist of FXR | Descriptor: | Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide | Authors: | Xu, X, Chen, L, Hu, L, Shen, X. | Deposit date: | 2014-01-20 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor. J.Biol.Chem., 290, 2015
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3UG1
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![BU of 3ug1 by Molmil](/molmil-images/mine/3ug1) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | Deposit date: | 2011-11-02 | Release date: | 2012-03-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
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5WYG
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![BU of 5wyg by Molmil](/molmil-images/mine/5wyg) | The crystal structure of the apo form of Mtb MazF | Descriptor: | Probable endoribonuclease MazF7 | Authors: | Xie, W, Chen, R, Tu, J. | Deposit date: | 2017-01-13 | Release date: | 2017-04-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.356 Å) | Cite: | Structure of the MazF-mt9 toxin, a tRNA-specific endonuclease from Mycobacterium tuberculosis Biochem. Biophys. Res. Commun., 486, 2017
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3VJN
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![BU of 3vjn by Molmil](/molmil-images/mine/3vjn) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | Deposit date: | 2011-10-27 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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1MG2
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![BU of 1mg2 by Molmil](/molmil-images/mine/1mg2) | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | Deposit date: | 2002-08-14 | Release date: | 2002-12-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | MUTATION OF AlPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Biochemistry, 41, 2002
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1MG3
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![BU of 1mg3 by Molmil](/molmil-images/mine/1mg3) | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | Deposit date: | 2002-08-14 | Release date: | 2002-12-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Biochemistry, 41, 2002
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5HC6
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![BU of 5hc6 by Molmil](/molmil-images/mine/5hc6) | Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in apo form | Descriptor: | SULFATE ION, prenyltransference for protein | Authors: | Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-01-04 | Release date: | 2016-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase Angew.Chem.Int.Ed.Engl., 55, 2016
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2I0X
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![BU of 2i0x by Molmil](/molmil-images/mine/2i0x) | Hypothetical protein PF1117 from Pyrococcus furiosus | Descriptor: | Hypothetical protein PF1117 | Authors: | Chen, L.Q, Fu, Z.-Q, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-08-11 | Release date: | 2006-10-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Hypothetical Protein Pf1117 from Pyrococcus furiosus To be Published
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5HC8
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![BU of 5hc8 by Molmil](/molmil-images/mine/5hc8) | Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with dimethylallyl diphosphate | Descriptor: | 2-methylbuta-1,3-diene, 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, MAGNESIUM ION, ... | Authors: | Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-01-04 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase Angew.Chem.Int.Ed.Engl., 55, 2016
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5HC7
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![BU of 5hc7 by Molmil](/molmil-images/mine/5hc7) | Crystal structure of lavandulyl diphosphate synthase from Lavandula x intermedia in complex with S-thiolo-isopentenyldiphosphate | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, prenyltransference for protein | Authors: | Liu, M.X, Liu, W.D, Gao, J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-01-04 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and Function of a "Head-to-Middle" Prenyltransferase: Lavandulyl Diphosphate Synthase Angew.Chem.Int.Ed.Engl., 55, 2016
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6K9V
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![BU of 6k9v by Molmil](/molmil-images/mine/6k9v) | Crystal structure of tubulin in complex with inhibitor D64 | Descriptor: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-06-18 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors. Febs Lett., 594, 2020
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6KNZ
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![BU of 6knz by Molmil](/molmil-images/mine/6knz) | Crystal structure of T2R-TTL-KXO1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ... | Authors: | Chen, Q, Yu, Y. | Deposit date: | 2019-08-07 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.475 Å) | Cite: | Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity. J.Biol.Chem., 294, 2019
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1E5D
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![BU of 1e5d by Molmil](/molmil-images/mine/1e5d) | RUBREDOXIN OXYGEN:OXIDOREDUCTASE (ROO) FROM ANAEROBE DESULFOVIBRIO GIGAS | Descriptor: | FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, OXYGEN MOLECULE, ... | Authors: | Frazao, C, Silva, G, Gomes, C.M, Matias, P, Coelho, R, Sieker, L, Macedo, S, Liu, M.Y, Oliveira, S, Teixeira, M, Xavier, A.V, Rodrigues-Pousada, C, Carrondo, M.A, Le Gall, J. | Deposit date: | 2000-07-24 | Release date: | 2000-11-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas Nat.Struct.Biol., 7, 2000
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8IVZ
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![BU of 8ivz by Molmil](/molmil-images/mine/8ivz) | Crystal structure of talin R7 in complex with KANK1 KN motif | Descriptor: | KN motif and ankyrin repeat domains 1, Talin-1 | Authors: | Xu, Y, Li, K, Wei, Z, Cong, Y. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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6LZH
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![BU of 6lzh by Molmil](/molmil-images/mine/6lzh) | Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18 | Descriptor: | GrgF, SODIUM ION | Authors: | Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M. | Deposit date: | 2020-02-19 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A. J.Am.Chem.Soc., 142, 2020
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5FNV
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![BU of 5fnv by Molmil](/molmil-images/mine/5fnv) | a new complex structure of tubulin with an alpha-beta unsaturated lactone | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, Y, Naismith, J, Zhu, X. | Deposit date: | 2015-11-16 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule. Nat.Commun., 7, 2016
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3GMJ
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![BU of 3gmj by Molmil](/molmil-images/mine/3gmj) | Crystal structure of MAD MH2 domain | Descriptor: | Protein mothers against dpp | Authors: | Wu, J.W, Wang, C. | Deposit date: | 2009-03-14 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the MH2 domain of Drosophila Mad SCI.CHINA, SER.C: LIFE SCI., 52, 2009
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3IKA
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![BU of 3ika by Molmil](/molmil-images/mine/3ika) | |