7ABL
 
 | | HBV pgRNA T=4 NCP icosahedral symmetry | | 分子名称: | Capsid protein | | 著者 | Patel, N, Clark, S, Weis, E.U, Mata, C.P, Bohon, J, Farquhar, E, Ranson, N.A, Twarock, R, Stockley, P.G. | | 登録日 | 2020-09-07 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | In vitro functional analysis of gRNA sites regulating assembly of hepatitis B virus.
Commun Biol, 4, 2021
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6PB1
 | | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35 | | 分子名称: | CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | | 登録日 | 2019-06-12 | | 公開日 | 2020-02-12 | | 最終更新日 | 2020-02-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
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7MBH
 | | Structure of Human Enolase 2 in complex with phosphoserine | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | | 著者 | Leonard, P.G, Hicks, K.G, Rutter, J. | | 登録日 | 2021-03-31 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2021-02-05 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8F43
 | | HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant | | 分子名称: | CRISPR-associated endonuclease Cas9 | | 著者 | D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G. | | 登録日 | 2022-11-10 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022
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7AW2
 | | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | | 分子名称: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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8VW5
 | | Crystal structure of Cbl-b TKB bound to compound 2 | | 分子名称: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | | 著者 | Yu, C, Murray, J, Hsu, P.L. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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7AVZ
 | | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | | 分子名称: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW3
 | | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | | 分子名称: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW0
 | | MerTK kinase domain in complex with purine inhibitor | | 分子名称: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW1
 | | MerTK kinase domain in complex with a type 2 inhibitor | | 分子名称: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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6Q0C
 | | MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG | | 分子名称: | 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ... | | 著者 | O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S. | | 登録日 | 2019-08-01 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
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6W58
 | | hPGDS complexed with an aza-quinoline | | 分子名称: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | | 著者 | Elkins, P.A, Ward, P. | | 登録日 | 2020-03-12 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.395 Å) | | 主引用文献 | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
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8B3F
 | | Pol II-CSB-CSA-DDB1-ELOF1 | | 分子名称: | DNA damage-binding protein 1, DNA excision repair protein ERCC-6, DNA excision repair protein ERCC-8, ... | | 著者 | Kokic, G, Cramer, P. | | 登録日 | 2022-09-16 | | 公開日 | 2023-09-27 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Pol II-CSB-CSA-DDB1-ELOF1 structure.
To Be Published
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6W1H
 | | Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Pseudomonas putida | | 分子名称: | 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION | | 著者 | Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D. | | 登録日 | 2020-03-04 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
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8B3D
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7B62
 | | Crystal structure of SARS-CoV-2 spike protein N-terminal domain in complex with biliverdin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pye, V.E, Rosa, A, Roustan, C, Cherepanov, P. | | 登録日 | 2020-12-07 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
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7B7V
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4RUA
 | | Crystal structure of Y-family DNA polymerase Dpo4 bypassing a MeFapy-dG adduct | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase IV, ... | | 著者 | Patra, A, Banerjee, S, Stone, M.P, Egli, M. | | 登録日 | 2014-11-18 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Structural Basis for Error-Free Bypass of the 5-N-Methylformamidopyrimidine-dG Lesion by Human DNA Polymerase eta and Sulfolobus solfataricus P2 Polymerase IV.
J.Am.Chem.Soc., 137, 2015
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7NKX
 | | RNA polymerase II-Spt4/5-nucleosome-Chd1 structure | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromatin elongation factor SPT4, ... | | 著者 | Farnung, L, Ochmann, M, Engeholm, M, Cramer, P. | | 登録日 | 2021-02-19 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis of nucleosome transcription mediated by Chd1 and FACT.
Nat.Struct.Mol.Biol., 28, 2021
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4TNJ
 | | RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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8EQI
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8OLU
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7AQS
 | | Crystal structure of E. coli DPS in space group P1 | | 分子名称: | DNA protection during starvation protein, FE (III) ION | | 著者 | Jakob, R.P, Pipercevic, J, Righetto, R, Goldie, K, Stahlberg, H, Maier, T, Hiller, S. | | 登録日 | 2020-10-22 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of a Dps contamination in Mitomycin-C-induced expression of Colicin Ia.
Biochim Biophys Acta Biomembr, 1863, 2021
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4TNI
 | | RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (4.6 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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