8XCI
 
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8XCK
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8XCJ
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4YTC
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4YTH
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6WL2
 | | preTCRbeta-pMHC complex crystal structure | | 分子名称: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | 著者 | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | 登録日 | 2020-04-18 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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6WL4
 | | preTCRbeta-pMHC complex crystal structure | | 分子名称: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | | 著者 | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | | 登録日 | 2020-04-18 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection.
Science, 371, 2021
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5KRG
 | | RNA 15mer duplex binding with PZG monomer | | 分子名称: | RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | | 著者 | Zhang, W, Tam, C.P, Szostak, J.W. | | 登録日 | 2016-07-07 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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5L00
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | 分子名称: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | 著者 | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | 登録日 | 2020-04-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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4I0S
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4I0R
 | | Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide | | 分子名称: | N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Kuglstatter, A, Villasenor, A.G. | | 登録日 | 2012-11-19 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
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4I0T
 | | Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide | | 分子名称: | N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Kuglstatter, A, Slade, M. | | 登録日 | 2012-11-19 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
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4WD5
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6VIJ
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6VPQ
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5KTX
 | | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | | 著者 | Murray, J.M, Noland, C. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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5KTW
 | | CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | | 分子名称: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | | 著者 | Murray, J.M, Boenig, G. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.087 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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5KTU
 | | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | | 分子名称: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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7SEL
 | | E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) | | 分子名称: | (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase | | 著者 | Payandeh, J, Koth, C.M, Verma, V.A. | | 登録日 | 2021-09-30 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.978 Å) | | 主引用文献 | Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
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7OTE
 | | Src Kinase Domain in complex with ponatinib | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GLYCEROL, ... | | 著者 | Soriano-Maldonado, P, Cuesta-Hernandez, H.N, Plaza-Menacho, I. | | 登録日 | 2021-06-10 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | An allosteric switch between the activation loop and a c-terminal palindromic phospho-motif controls c-Src function.
Nat Commun, 14, 2023
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6O9H
 | | Mouse ECD with Fab1 | | 分子名称: | Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ... | | 著者 | Min, X, Wang, Z. | | 登録日 | 2019-03-13 | | 公開日 | 2020-01-22 | | 最終更新日 | 2020-04-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
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4XNR
 | | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | | 分子名称: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | | 著者 | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | | 登録日 | 2015-01-16 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
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7S5S
 | | CTX-M-15 WT in complex with BLIP WT | | 分子名称: | Beta-lactamase, Beta-lactamase inhibitory protein | | 著者 | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | | 登録日 | 2021-09-11 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
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7C2S
 | | Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10 | | 分子名称: | Heavy chain of Fab C10, envelope protein, light chain of Fab C10 | | 著者 | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | | 登録日 | 2020-05-09 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (10.4 Å) | | 主引用文献 | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
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