4RJ6
 
 | | EGFR kinase (T790M/L858R) with inhibitor compound 4 | | 分子名称: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4F9C
 | | Human CDC7 kinase in complex with DBF4 and XL413 | | 分子名称: | 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ... | | 著者 | Hughes, S, Cherepanov, P. | | 登録日 | 2012-05-18 | | 公開日 | 2012-10-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
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7LL4
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8V92
 | | BRD4 BD1 liganded with macrocyclic compound 2b (JJ-II-352A) | | 分子名称: | (4bS)-1-ethyl-21-methyl-4b,11,12,22-tetrahydro-2H,10H,18H-dibenzo[13',14':6',7'][1,5,9]trioxacyclotetradecino[12',11':4,5]pyrido[2,3-d]pyrimidine-2,4,20(1H,3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Schonbrunn, E, Chan, A. | | 登録日 | 2023-12-07 | | 公開日 | 2025-03-19 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Macrocyclic dihydropyridine analogs as pan-BET BD2-preferred inhibitors.
Eur.J.Med.Chem., 290, 2025
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6EAC
 | | Pseudomonas syringae SelO | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | | 登録日 | 2018-08-02 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.269 Å) | | 主引用文献 | Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
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3W2C
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3V7S
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor 0364 | | 分子名称: | 5-methyl-3-[4-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-1,3-benzoxazol-2(3H)-one, Biotin ligase | | 著者 | Yap, M.Y, Pendini, N.R. | | 登録日 | 2011-12-21 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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4RJ5
 | | EGFR kinase (T790M/L858R) with inhibitor compound 5 | | 分子名称: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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5G6V
 | | Crystal structure of the PCTAIRE1 kinase in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, CYCLIN-DEPENDENT KINASE 16 | | 著者 | Dixon-Clarke, S.E, Galan Bartual, S, Elkins, J, Savitsky, P, Kopec, J, Mackenzie, A, Tallant, C, Heroven, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2016-08-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
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6HA1
 | | Cryo-EM structure of a 70S Bacillus subtilis ribosome translating the ErmD leader peptide in complex with telithromycin | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Crowe-McAuliffe, C, Graf, M, Huter, P, Abdelshahid, M, Novacek, J, Wilson, D.N. | | 登録日 | 2018-08-07 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis for antibiotic resistance mediated by theBacillus subtilisABCF ATPase VmlR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4N94
 | | E. coli sliding clamp in complex with 3,4-difluorobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... | | 著者 | Yin, Z, Oakley, A.J. | | 登録日 | 2013-10-19 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
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4ZEB
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3VOV
 | | Crystal Structure of ROK Hexokinase from Thermus thermophilus | | 分子名称: | GLYCEROL, Glucokinase, ZINC ION | | 著者 | Nakamura, T, Kashima, Y, Mine, S, Oku, T, Uegaki, K. | | 登録日 | 2012-02-21 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Characterization and crystal structure of the thermophilic ROK hexokinase from Thermus thermophilus
J.Biosci.Bioeng., 2012
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9GOH
 | | Crystal structure of DPP4 in complex with sulphostin. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, ... | | 著者 | Sewald, L, Tabak, W.W.A, Fehr, L, Zolg, S, Najdzion, M, Verhoef, C.J.A, Podlesainski, D, Geiss-Friedlander, R, Lammens, A, Kaschani, F, Hellerschmied, D, Huber, R, Kaiser, M. | | 登録日 | 2024-09-05 | | 公開日 | 2025-07-16 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Sulphostin-inspired N-phosphonopiperidones as selective covalent DPP8 and DPP9 inhibitors.
Nat Commun, 16, 2025
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4FF5
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3VR2
 | | Crystal structure of nucleotide-free A3B3 complex from Enterococcus hirae V-ATPase [eA3B3] | | 分子名称: | V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | | 著者 | Arai, S, Saijo, S, Suzuki, K, Mizutani, K, Kakinuma, Y, Ishizuka-Katsura, Y, Ohsawa, N, Terada, T, Shirouzu, M, Yokoyama, S, Iwata, S, Yamato, I, Murata, T. | | 登録日 | 2012-04-03 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Rotation mechanism of Enterococcus hirae V(1)-ATPase based on asymmetric crystal structures
Nature, 493, 2013
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8IR1
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4MQ9
 | | Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077 | | 分子名称: | (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | 著者 | Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S. | | 登録日 | 2013-09-16 | | 公開日 | 2014-05-07 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
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6EHJ
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound | | 分子名称: | ASPARAGINE, COENZYME A, GLYCEROL, ... | | 著者 | Perez-Dorado, I, Ritzefeld, M, Tate, E.W. | | 登録日 | 2017-09-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
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2V5K
 | | Class II aldolase HpcH - magnesium - oxamate complex | | 分子名称: | 2,4-DIHYDROXYHEPT-2-ENE-1,7-DIOIC ACID ALDOLASE, MAGNESIUM ION, OXAMIC ACID, ... | | 著者 | Rea, D, Fulop, V, Bugg, T.D.H, Roper, D.I. | | 登録日 | 2007-07-06 | | 公開日 | 2007-10-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and Mechanism of Hpch: A Metal Ion Dependent Class II Aldolase from the Homoprotocatechuate Degradation Pathway of Escherichia Coli.
J.Mol.Biol., 373, 2007
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8UGH
 | | In-situ structure of typeA supercomplex with lipids in respiratory chain (composite) | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ... | | 著者 | Zheng, W, Zhang, K, Zhu, J. | | 登録日 | 2023-10-05 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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3VFH
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8UGI
 | | High resolution in-situ structure of typeA supercomplex in respiratory chain (I1III2IV1,composite) | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | 著者 | Zheng, W, Zhang, K, Zhu, J. | | 登録日 | 2023-10-05 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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4MQ1
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | 登録日 | 2013-09-15 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | 分子名称: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | 著者 | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | | 登録日 | 2005-02-01 | | 公開日 | 2005-04-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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