5XGM
 
 | | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2017-04-14 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S.
Biochem. Biophys. Res. Commun., 488, 2017
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8A2B
 | | EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide | | 分子名称: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor | | 著者 | Kuglstatter, A, Ehler, A. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
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8A2A
 | | EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) | | 分子名称: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor, SULFATE ION | | 著者 | Kuglstatter, A, Ehler, A. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
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1B0S
 | | BINDING OF AR-1-144, A TRI-IMIDAZOLE DNA MINOR GROOVE BINDER, TO CCGG SEQUENCE ANALYZED BY NMR SPECTROSCOPY | | 分子名称: | (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, DNA (5'-D(*GP*AP*AP*CP*CP*GP*GP*TP*TP*C)-3') | | 著者 | Yang, X.-L, Kaenzig, C, Lee, M, Wang, A.H.-J. | | 登録日 | 1998-11-12 | | 公開日 | 1999-08-31 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscopy.
Eur.J.Biochem., 263, 1999
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5HHH
 | | Structure of human DNA polymerase beta Host-Guest complexed with the control G for N7-CBZ-platination | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Koag, M.-C, Lee, S. | | 登録日 | 2016-01-11 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.363 Å) | | 主引用文献 | Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
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1M56
 | | Structure of cytochrome c oxidase from Rhodobactor sphaeroides (Wild Type) | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, COPPER (II) ION, ... | | 著者 | Svensson-Ek, M, Abramson, J, Larsson, G, Tornroth, S, Brezezinski, P, Iwata, S. | | 登録日 | 2002-07-08 | | 公開日 | 2002-08-28 | | 最終更新日 | 2021-06-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The X-ray crystal structures of wild-type and EQ(I-286) mutant cytochrome c oxidases from Rhodobacter sphaeroides.
J.Mol.Biol., 321, 2002
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6LG0
 | | Crystal structure of SbCGTa in complex with UDP | | 分子名称: | SbCGTa, URIDINE-5'-DIPHOSPHATE | | 著者 | Gao, H.M, Yun, C.H. | | 登録日 | 2019-12-04 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.998 Å) | | 主引用文献 | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2JBL
 | | PHOTOSYNTHETIC REACTION CENTER FROM BLASTOCHLORIS VIRIDIS | | 分子名称: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | 著者 | Lancaster, C.R.D. | | 登録日 | 2006-12-08 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Comparison of Stigmatellin Conformations, Free and Bound to the Photosynthetic Reaction Center and the Cytochrome Bc(1) Complex.
J.Mol.Biol., 368, 2007
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5EBL
 | | KcsA T75G in the Conductive State | | 分子名称: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | | 著者 | Matulef, K, Valiyaveetil, F.I. | | 登録日 | 2015-10-19 | | 公開日 | 2016-04-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
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6H7Z
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-65-1 | | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Motlova, L, Novakova, Z, Barinka, C. | | 登録日 | 2018-07-31 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
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7Z53
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6MAV
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6S7N
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8VXF
 | | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | | 分子名称: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | | 著者 | Thompson, A.A, Milligan, C.M, Sharma, S. | | 登録日 | 2024-02-04 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
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4JCX
 | | Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OL operator complex | | 分子名称: | Csp231I C protein, DNA (5'-D(*AP*CP*AP*CP*TP*AP*AP*GP*GP*AP*AP*AP*AP*CP*TP*TP*AP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*AP*AP*GP*TP*TP*TP*TP*CP*CP*TP*TP*AP*GP*TP*GP*T)-3') | | 著者 | Shevtsov, M.B, Streeter, S.D, Thresh, S.J, Mcgeehan, J.E, Kneale, G.G. | | 登録日 | 2013-02-22 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression.
Acta Crystallogr.,Sect.D, 71, 2015
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4AX3
 | | Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.6 A resolution | | 分子名称: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C | | 著者 | Antonyuk, S.V, Cong, H, Eady, R.R, Hasnain, S.S. | | 登録日 | 2012-06-07 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structures of protein-protein complexes involved in electron transfer.
Nature, 496, 2013
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8A5L
 | | TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ | | 分子名称: | 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7 | | 著者 | Luptak, J. | | 登録日 | 2022-06-15 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.622 Å) | | 主引用文献 | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
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7ZP7
 | | Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product | | 分子名称: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C | | 著者 | Hardy, F.J, Levy, C. | | 登録日 | 2022-04-26 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
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6VU0
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5C8N
 | | EGFR kinase domain mutant "TMLR" with compound 23 | | 分子名称: | Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2015-06-25 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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5X8I
 | | Crystal structure of human CLK1 in complex with compound 25 | | 分子名称: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1 | | 著者 | Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y. | | 登録日 | 2017-03-02 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
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5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | 分子名称: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Dong, S, Du, L, Li, S, Feng, Y. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5HHI
 | | Structure of human DNA polymerase beta Host-Guest complexed with CBZ-platinated N7-G | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Lee, S, Koag, M.-C. | | 登録日 | 2016-01-11 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.517 Å) | | 主引用文献 | Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
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6RPV
 | | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | | 分子名称: | Cystatin-C | | 著者 | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | | 登録日 | 2019-05-14 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | | 主引用文献 | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
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5AJ8
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