9EMV
 
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | | 分子名称: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | 登録日 | 2024-03-11 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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5XDU
 | | Staphylococcus aureus FtsZ 12-316 complexed with TXA6101 | | 分子名称: | 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ... | | 著者 | Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H. | | 登録日 | 2017-03-30 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
ACS Chem. Biol., 12, 2017
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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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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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1CB0
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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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7VJ7
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state | | 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, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, 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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6Z2O
 | | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 21 21 21 | | 分子名称: | 1,2-ETHANEDIOL, O-glycan protease, ZINC ION | | 著者 | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | 登録日 | 2020-05-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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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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6Z2P
 | | Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate | | 分子名称: | CALCIUM ION, Glycodrosocin, O-glycan protease, ... | | 著者 | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | | 登録日 | 2020-05-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila.
Nat Commun, 11, 2020
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6B72
 | | A novel HIV-1 Nef dimer interface induced by a single octyl-glucoside molecule | | 分子名称: | Protein Nef, octyl beta-D-glucopyranoside | | 著者 | Wu, M, Augelli-Szafran, C.E, Ptak, R.G, Smithgall, T.E. | | 登録日 | 2017-10-03 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | A single beta-octyl glucoside molecule induces HIV-1 Nef dimer formation in the absence of partner protein binding.
PLoS ONE, 13, 2018
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6Z3R
 | | Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Langer, L.M, Gat, Y, Conti, E. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity.
Elife, 9, 2020
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6HAR
 | | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | | 分子名称: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | | 著者 | Shahar, A, Cohen, I, Radisky, E, Papo, N. | | 登録日 | 2018-08-08 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | | 主引用文献 | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
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6B9J
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8Q9N
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and MITR deacetylase binding motif mutant L151V. | | 分子名称: | DIMETHYL SULFOXIDE, DNA MADS box, MEF2D protein, ... | | 著者 | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | 登録日 | 2023-08-20 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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6ZDV
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | | 登録日 | 2020-06-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8QX0
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6ZHK
 | | Crystal structure of adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Methanocaldococcus jannaschii DSM 2661 | | 分子名称: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION | | 著者 | Boyko, K.M, Nikolaeva, T.N, Stekhanova, T.N, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O. | | 登録日 | 2020-06-23 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-Dimensional Structure of Thermostable D-Amino Acid Transaminase from the Archaeon Methanocaldococcus jannaschii DSM 2661
Crystallography Reports, 2021
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7NEU
 | | Inhibitor Complex with Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) | | 分子名称: | (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brown, D.G, Schaffner, A.P, Vuillard, L.M, Gloanec, P, Raimbauld, E. | | 登録日 | 2021-02-04 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Phosphinanes and Azaphosphinanes as Potent and Selective Inhibitors of Activated Thrombin-Activatable Fibrinolysis Inhibitor (TAFIa).
J.Med.Chem., 64, 2021
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8QWT
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6ZDX
 | | RIFIN variable region bound to LILRB1 ectodomain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte immunoglobulin-like receptor subfamily B member 1, ... | | 著者 | Harrison, T.E, Higgins, M.K. | | 登録日 | 2020-06-15 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for RIFIN-mediated activation of LILRB1 in malaria.
Nature, 587, 2020
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8UQO
 | | PLCb3-Gbg-Gaq complex on membranes | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Falzone, M.E, MacKinnon, R. | | 登録日 | 2023-10-24 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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2EIB
 | | Crystal Structure of Galactose Oxidase, W290H mutant | | 分子名称: | ACETATE ION, COPPER (II) ION, Galactose oxidase, ... | | 著者 | Phillips, S.E, McPherson, M.J, Knowles, P.F, Wilmot, C. | | 登録日 | 2007-03-12 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
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2XR9
 | | Crystal structure of Autotaxin (ENPP2) | | 分子名称: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | | 著者 | Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A. | | 登録日 | 2010-09-13 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural basis of substrate discrimination and integrin binding by autotaxin.
Nat. Struct. Mol. Biol., 18, 2011
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3H1H
 | | Cytochrome bc1 complex from chicken | | 分子名称: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME C1, ... | | 著者 | Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.I, Kim, K.K, Hung, L.W, Crofts, A.R, Berry, E.A, Kim, S.H. | | 登録日 | 2009-04-12 | | 公開日 | 2009-04-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.16 Å) | | 主引用文献 | Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
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