5H7O
 
 | | Crystal structure of DJ-101 in complex with tubulin protein | | 分子名称: | 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W. | | 登録日 | 2016-11-20 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance.
Cancer Res., 78, 2018
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4WGI
 | | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | | 分子名称: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | | 登録日 | 2014-09-18 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
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4WHG
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | 分子名称: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | 登録日 | 2014-09-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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5AGR
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | 分子名称: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | | 著者 | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | 登録日 | 2015-02-03 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5AGT
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | 分子名称: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | | 著者 | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | 登録日 | 2015-02-03 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5AGS
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | 分子名称: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | | 著者 | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | 登録日 | 2015-02-03 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5HOT
 | | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | | 分子名称: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | | 著者 | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | | 登録日 | 2016-01-19 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5DQU
 | | Crystal Structure of Cas-DNA-10 complex | | 分子名称: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*TP*TP*TP*T)-3'), ... | | 著者 | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | 登録日 | 2015-09-15 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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6I59
 | | Long wavelength native-SAD phasing of Sen1 helicase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | | 登録日 | 2018-11-13 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
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5DQT
 | | Crystal Structure of Cas-DNA-22 complex | | 分子名称: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (33-MER), ... | | 著者 | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | 登録日 | 2015-09-15 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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5DLJ
 | | Crystal Structure of Cas-DNA-N1 complex | | 分子名称: | 39-mer DNA N1-F, 39-mer DNA N1-R, CRISPR-associated endonuclease Cas1, ... | | 著者 | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | 登録日 | 2015-09-05 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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5DQZ
 | | Crystal Structure of Cas-DNA-PAM complex | | 分子名称: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (36-MER), ... | | 著者 | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | | 登録日 | 2015-09-15 | | 公開日 | 2015-11-11 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
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4U7U
 | | Crystal structure of RNA-guided immune Cascade complex from E.coli | | 分子名称: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | | 著者 | Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y. | | 登録日 | 2014-07-31 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli
Nature, 515, 2014
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8YM2
 | | Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif | | 分子名称: | Ankyrin repeat and sterile alpha motif domain-containing protein 1B, Ras/Rap GTPase-activating protein SynGAP | | 著者 | Wang, X, Wang, Y, Cai, Q, Zhang, M. | | 登録日 | 2024-03-08 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | AIDA-1/ANKS1B Binds to the SynGAP Family RasGAPs with High Affinity and Specificity.
J.Mol.Biol., 436, 2024
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5KLN
 | | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+ | | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | | 登録日 | 2016-06-24 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
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5KLK
 | | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde | | 分子名称: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | | 登録日 | 2016-06-24 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
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3BIY
 | | Crystal structure of p300 histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | 分子名称: | BROMIDE ION, Histone acetyltransferase p300, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | | 著者 | Liu, X, Wang, L, Zhao, K, Thompson, P.R, Hwang, Y, Marmorstein, R, Cole, P.A. | | 登録日 | 2007-12-02 | | 公開日 | 2008-02-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The structural basis of protein acetylation by the p300/CBP transcriptional coactivator
Nature, 451, 2008
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8YZ7
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6I5C
 | | Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | | 登録日 | 2018-11-13 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
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4OJR
 | | Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | | 分子名称: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | | 著者 | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | | 登録日 | 2014-01-21 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS.
J.Biol.Chem., 289, 2014
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5VOU
 | | Structure of AMPA receptor-TARP complex | | 分子名称: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | 著者 | Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (6.4 Å) | | 主引用文献 | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
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5VOT
 | | Structure of AMPA receptor-TARP complex | | 分子名称: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | 著者 | Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
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8WX7
 | | Crystal structure of SHP2 in complex with JAB-3186 | | 分子名称: | (5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Ma, C, Gao, P, Kang, D, Han, H, Sun, X, Zhang, W, Qian, D, Wang, Y, Long, W. | | 登録日 | 2023-10-27 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of JAB-3312, a Potent SHP2 Allosteric Inhibitor for Cancer Treatment.
J.Med.Chem., 67, 2024
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1HYV
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM | | 分子名称: | CHLORIDE ION, INTEGRASE, SULFATE ION, ... | | 著者 | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | 登録日 | 2001-01-22 | | 公開日 | 2001-04-04 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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1HYZ
 | | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. | | 分子名称: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... | | 著者 | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | | 登録日 | 2001-01-22 | | 公開日 | 2001-04-04 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain.
Acta Crystallogr.,Sect.D, 57, 2001
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