7VJ0
| class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 us time-point) | 分子名称: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6NKD
| Crystal Structure of the Lipase Lip_vut3 from Goat Rumen metagenome. | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | 著者 | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | 登録日 | 2019-01-07 | 公開日 | 2020-01-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of the Lipase Lip_vut3 from Goat Rumen metagenome. To Be Published
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7VJA
| class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 ns time-point) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6HRW
| EthR2 in complex with compound 1 (BDM14272) | 分子名称: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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8VK1
| X-ray crystal structure of human IgE 4C8 Fab complex with Der p 2.0103 | 分子名称: | Der p 2 variant 3, IgE 4C8 heavy chain, IgE 4C8 light chain | 著者 | Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M. | 登録日 | 2024-01-08 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2. J.Allergy Clin.Immunol., 2024
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6HS2
| EthR2 in complex with compound 31 (BDM76150) | 分子名称: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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8BOV
| X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5 | 分子名称: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Ferraro, G, Tito, G, Merlino, A. | 登録日 | 2022-11-15 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents. Int J Mol Sci, 24, 2023
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8BQW
| Cryo-EM structure of alpha-synuclein filaments doublet from Juvenile-onset synucleinopathy | 分子名称: | Alpha-synuclein, Unknown protein | 著者 | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | 登録日 | 2023-01-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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7VIX
| class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point) | 分子名称: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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8BOY
| X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0 | 分子名称: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ... | 著者 | Ferraro, G, Tito, G, Merlino, A. | 登録日 | 2022-11-15 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents. Int J Mol Sci, 24, 2023
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7QI4
| Human mitochondrial ribosome at 2.2 A resolution (bound to partly built tRNAs and mRNA) | 分子名称: | 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ... | 著者 | Singh, V, Itoh, Y, Amunts, A. | 登録日 | 2021-12-14 | 公開日 | 2022-07-13 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.21 Å) | 主引用文献 | Structure of mitoribosome reveals mechanism of mRNA binding, tRNA interactions with L1 stalk, roles of cofactors and rRNA modifications. Biorxiv, 2023
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7VJJ
| class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point) | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | 登録日 | 2021-09-28 | 公開日 | 2022-03-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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5EHL
| Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Dual specificity protein kinase TTK | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | 登録日 | 2015-10-28 | 公開日 | 2016-11-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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8BQV
| Cryo-EM structure of alpha-synuclein singlet filament from Juvenile-onset synucleinopathy | 分子名称: | Alpha-synuclein, Unknown protein | 著者 | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | 登録日 | 2023-01-18 | 公開日 | 2023-02-22 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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6HRZ
| EthR2 in complex with compound 4 (BDM72170) | 分子名称: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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5EI6
| Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | 分子名称: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine | 著者 | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | 登録日 | 2015-10-29 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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6HVO
| Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta | 分子名称: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | 著者 | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | 登録日 | 2018-10-11 | 公開日 | 2019-01-23 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA). J.Biol.Chem., 294, 2019
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7BF2
| Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode | 分子名称: | CALCIUM ION, Calmodulin-1, Creatine kinase M-type | 著者 | Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S. | 登録日 | 2020-12-31 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Calmodulin complexes with brain and muscle creatine kinase peptides. Curr Res Struct Biol, 3, 2021
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7BF1
| Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode | 分子名称: | ACETYL GROUP, CALCIUM ION, Calmodulin-1, ... | 著者 | Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S. | 登録日 | 2020-12-31 | 公開日 | 2021-07-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Calmodulin complexes with brain and muscle creatine kinase peptides. Curr Res Struct Biol, 3, 2021
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8AMQ
| Crystal structure of the complex CYP143-FdxE from M. tuberculosis | 分子名称: | FE3-S4 CLUSTER, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Bukhdruker, S, Varaksa, T, Smolskaya, S, Marin, E, Kapranov, I, Kovalev, K, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2022-08-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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6NI2
| Stabilized beta-arrestin 1-V2T subcomplex of a GPCR-G protein-beta-arrestin mega-complex | 分子名称: | Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ... | 著者 | Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J. | 登録日 | 2018-12-26 | 公開日 | 2019-11-20 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex. Nat.Struct.Mol.Biol., 26, 2019
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2WI6
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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8WO8
| Crystal Structure of an RNA-binding protein, FAU-1, from Pyrococcus furiosus | 分子名称: | Probable ribonuclease FAU-1, RNA (5'-R(P*AP*UP*A)-3') | 著者 | Kawai, G, Okada, K, Baba, S, Sato, A, Sakamoto, T, Kanai, A. | 登録日 | 2023-10-06 | 公開日 | 2024-02-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Homo-trimeric structure of the ribonuclease for rRNA processing, FAU-1, from Pyrococcus furiosus. J.Biochem., 175, 2024
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6NEE
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6NKC
| Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome. | 分子名称: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | 著者 | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | 登録日 | 2019-01-07 | 公開日 | 2020-01-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Crystal Structure of the Lipase Lip_vut1 from Goat Rumen metagenome. To Be Published
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