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7ZWE
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The Crystal structure of GW8695 bound to CK2alpha
分子名称: 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
7ZWD
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Structure of SNAPc containing Pol II pre-initiation complex bound to U5 snRNA promoter (CC)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
著者Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
登録日2022-05-19
公開日2022-11-30
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZWC
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Structure of SNAPc:TBP-TFIIA-TFIIB sub-complex bound to U5 snRNA promoter
分子名称: Non-template strand, TATA-box-binding protein, Template strand, ...
著者Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P.
登録日2022-05-19
公開日2022-11-30
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
7ZWA
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BU of 7zwa by Molmil
CryoEM structure of Ku heterodimer bound to DNA and PAXX
分子名称: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*T)-3'), PHOSPHATE ION, ...
著者Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
登録日2022-05-19
公開日2023-05-31
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7ZW8
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Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
著者Graedler, U, Lammens, A.
登録日2022-05-19
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.119 Å)
主引用文献Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7ZW7
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Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Saccoccia, F, Giannaccari, M, Ruberti, G.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
To Be Published
7ZW6
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Oligomeric structure of SynDLP
分子名称: Slr0869 protein
著者Gewehr, L, Junglas, B, Jilly, R, Franz, J, Wenyu, E.Z, Weidner, T, Bonn, M, Sachse, C, Schneider, D.
登録日2022-05-18
公開日2023-04-19
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献SynDLP is a dynamin-like protein of Synechocystis sp. PCC 6803 with eukaryotic features.
Nat Commun, 14, 2023
7ZW4
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Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide
分子名称: Caskin-2, Talin-1
著者Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A.
登録日2022-05-18
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility.
J.Cell.Sci., 137, 2024
7ZW3
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BU of 7zw3 by Molmil
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Binda, C, Gottinger, A.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7ZW2
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Penicillium expansum antifungal protein B
分子名称: Antifungal protein, CHLORIDE ION
著者Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-18
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZW1
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BU of 7zw1 by Molmil
Human PRPH2-ROM1 hetero-dimer
分子名称: Nanobody, Peripherin-2, Rod outer segment membrane protein 1
著者El Mazouni, D, Gros, P.
登録日2022-05-17
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of peripherin-2 and ROM1 suggest multiple roles in photoreceptor membrane morphogenesis.
Sci Adv, 8, 2022
7ZVZ
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BU of 7zvz by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath): Chemically Reduced Ferrous Form
分子名称: Cytochrome c, GLYCEROL, HEME C, ...
著者Adams, H.R, Hough, M.A.
登録日2022-05-17
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A heme pocket aromatic quadrupole modulates gas binding to cytochrome c'-beta : Implications for NO sensors.
J.Biol.Chem., 299, 2023
7ZVU
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BU of 7zvu by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ...
著者Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
登録日2022-05-17
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZVR
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Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) complexed with zeaxanthin
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-17
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
7ZVQ
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Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, S206V mutant
分子名称: Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-17
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
7ZVP
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BU of 7zvp by Molmil
Crystal structure of poplar glutathione transferase U19 in complex with glutathione
分子名称: ACETATE ION, Glutathione transferase, S-Hydroxy-Glutathione
著者Didierjean, C, Favier, F.
登録日2022-05-16
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
分子名称: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
著者Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
登録日2022-05-16
公開日2022-09-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZVL
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BU of 7zvl by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
登録日2022-05-16
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZVH
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BU of 7zvh by Molmil
Penicillium expansum antifungal protein B
分子名称: Antifungal protein, CHLORIDE ION
著者Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M.
登録日2022-05-16
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship.
Int.J.Biol.Macromol., 225, 2023
7ZVF
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BU of 7zvf by Molmil
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
分子名称: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-05-15
公開日2023-11-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
7ZVE
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K403 acetylated glucose-6-phosphate dehydrogenase (G6PD)
分子名称: COPPER (II) ION, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase
著者Wu, F, Muskat, N.H, Shahar, A, Arbely, E.
登録日2022-05-15
公開日2023-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
7ZVD
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BU of 7zvd by Molmil
K89 acetylated glucose-6-phosphate dehydrogenase (G6PD) in a complex with structural NADP+
分子名称: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wu, F, Muskat, N.H, Nudelman, H, Shahar, A, Arbely, E.
登録日2022-05-15
公開日2023-08-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Acetylation-dependent coupling between G6PD activity and apoptotic signaling.
Nat Commun, 14, 2023
7ZVC
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Second crystal form of the mature glutamic-class prolyl-endopeptidase neprosin at 1.85 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, GLY-GLY-GLY-GLY, ...
著者Rodriguez-Banqueri, A, Eckhard, U, Del Amo-Maestro, L, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZVB
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Crystal Structure of the mature form of the glutamic-class prolyl-endopeptidase neprosin at 2.35 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, TRIETHYLENE GLYCOL, ...
著者Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZVA
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Crystal Structure of the native zymogen form of the glutamic-class prolyl-endopeptidase neprosin at 1.80 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C-terminal peptidase, ...
著者Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
登録日2022-05-14
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022

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