7G83
 
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 | | 分子名称: | 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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2FCX
 | | HIV-1 DIS kissing-loop in complex with neamine | | 分子名称: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ... | | 著者 | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | 登録日 | 2005-12-13 | | 公開日 | 2006-05-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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8JHU
 | | Legionella effector protein SidI | | 分子名称: | Legionella pneumophila effector protein SidI | | 著者 | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | | 登録日 | 2023-05-25 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
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7XPE
 | | Cryo-EM structure of the T=4 lake sinai virus 2 virus-like capsid at pH 8.5 | | 分子名称: | Capsid protein alpha | | 著者 | Chen, N.C, Wang, C.H, Chen, C.J, Yoshimura, M, Guan, H.H, Chuankhayan, P, Lin, C.C. | | 登録日 | 2022-05-04 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structures of honeybee-infecting Lake Sinai virus reveal domain functions and capsid assembly with dynamic motions.
Nat Commun, 14, 2023
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7G8Y
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885 | | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ... | | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-06-22 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7XRF
 | | Crystal structaure of DgpB/C complex | | 分子名称: | AP_endonuc_2 domain-containing protein, DgpB, MANGANESE (II) ION | | 著者 | Ma, M, He, P. | | 登録日 | 2022-05-10 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.137 Å) | | 主引用文献 | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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4CC5
 | | Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase | | 分子名称: | 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION | | 著者 | Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A. | | 登録日 | 2013-10-18 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
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7SID
 | | Human ATM Dimer Bound to Nbs1 | | 分子名称: | MAGNESIUM ION, Nibrin, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Warren, C, Pavletich, N.P. | | 登録日 | 2021-10-13 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | Structure of the human ATM kinase and mechanism of Nbs1 binding.
Elife, 11, 2022
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7XRE
 | | Crystal structure of DgpA | | 分子名称: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Ma, W, He, P. | | 登録日 | 2022-05-10 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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2VGB
 | | HUMAN ERYTHROCYTE PYRUVATE KINASE | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ... | | 著者 | Valentini, G, Chiarelli, L, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A. | | 登録日 | 2007-11-12 | | 公開日 | 2007-11-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
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2OPO
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2HTY
 | | N1 neuraminidase | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | 登録日 | 2006-07-26 | | 公開日 | 2006-09-05 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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4GPJ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | | 分子名称: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2012-08-21 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Medchemcomm, 4, 2013
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2HU4
 | | N1 neuraminidase in complex with oseltamivir 2 | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | 著者 | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | 登録日 | 2006-07-26 | | 公開日 | 2006-09-05 | | 最終更新日 | 2018-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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5OQ6
 | | Structure of CHK1 12-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | | 分子名称: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | 登録日 | 2017-08-10 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
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5ONW
 | | X-Ray crystal structure of a nucleosome core particle with its DNA site-specifically crosslinked to the histone octamer and the two H2A/H2B dimers crosslinked via H2A N38C | | 分子名称: | CHLORIDE ION, DNA (147-MER), Histone H2A, ... | | 著者 | Frouws, T.D, Barth, P.D, Richmond, T.J. | | 登録日 | 2017-08-04 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Site-Specific Disulfide Crosslinked Nucleosomes with Enhanced Stability.
J. Mol. Biol., 430, 2018
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1K6N
 | | E(L212)A,D(L213)A Double Mutant Structure of Photosynthetic Reaction Center from Rhodobacter Sphaeroides | | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | 著者 | Pokkuluri, P.R, Laible, P.D, Deng, Y.-L, Wong, T.N, Hanson, D.K, Schiffer, M. | | 登録日 | 2001-10-16 | | 公開日 | 2002-08-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The structure of a mutant photosynthetic reaction center shows unexpected changes in main chain orientations and quinone position.
Biochemistry, 41, 2002
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7RXE
 | | Crystal structure of junctophilin-2 | | 分子名称: | CITRATE ANION, ISOPROPYL ALCOHOL, Junctophilin-2 N-terminal fragment | | 著者 | Yang, Z, Panwar, P, Van Petegem, F. | | 登録日 | 2021-08-22 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RW4
 | | Crystal structure of junctophilin-1 | | 分子名称: | ACETATE ION, GLYCEROL, Junctophilin-1 | | 著者 | Yang, Z, Panwar, P, Van Petegem, F. | | 登録日 | 2021-08-19 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XQ7
 | | The complex structure of WT-Mpro | | 分子名称: | 3C-like proteinase nsp5, SODIUM ION | | 著者 | Sahoo, P, Lenka, D.R, Kumar, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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5PME
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 172) | | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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6PU0
 | | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | | 分子名称: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | 登録日 | 2019-07-16 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8979 Å) | | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5PMO
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 182) | | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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7XQ6
 | | The complex structure of mutant Mpro with inhibitor | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Sahoo, P, Lenka, D.R, Kumar, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
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5PND
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 207) | | 分子名称: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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