6R0B
 
 | | T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | | 分子名称: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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5U4Z
 | | Crystal structure of citrus MAF1 in space group P 31 2 1 | | 分子名称: | Repressor of RNA polymerase III transcription, SULFATE ION | | 著者 | Soprano, A.S, Giuseppe, P.O, Nascimento, A.F.Z, Benedetti, C.E, Murakami, M.T. | | 登録日 | 2016-12-06 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of citrus MAF1 in space group P 31 2 1
To Be Published
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4PP7
 | | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | | 分子名称: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | 著者 | Wenglowsky, S, Ren, L, Grina, J, Hansen, J.D, Laird, E.R, Moreno, D, Dinkel, V, Gloor, S.L, Hastings, G, Rana, S, Rasor, K, Sturgis, H.L, Voegtli, W.C, Vigers, G.P.A, Willis, B, Mathieu, S, Rudolph, J. | | 登録日 | 2014-02-26 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 24, 2014
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6U1N
 | | GPCR-Beta arrestin structure in lipid bilayer | | 分子名称: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ... | | 著者 | Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G. | | 登録日 | 2019-08-16 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
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6R09
 | | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | | 分子名称: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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4PQL
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6R0A
 | | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | | 分子名称: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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6QSX
 | | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | | 分子名称: | Complement factor B, SULFATE ION, ZINC ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1L47
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3FCC
 | | CRYSTAL STRUCTURE OF DLTA PROTEIN IN COMPLEX WITH ATP and MAGNESIUM | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1, MAGNESIUM ION | | 著者 | Osman, K.T, Du, L, He, Y, Luo, Y. | | 登録日 | 2008-11-21 | | 公開日 | 2009-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Crystal structure of Bacillus cereus D-alanyl carrier protein ligase (DltA) in complex with ATP.
J.Mol.Biol., 388, 2009
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1AIS
 | | TATA-BINDING PROTEIN/TRANSCRIPTION FACTOR (II)B/TATA-BOX COMPLEX FROM PYROCOCCUS WOESEI | | 分子名称: | DNA (5'-D(*AP*AP*CP*TP*TP*AP*CP*TP*TP*TP*(5IU)P*(5IU)P*AP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*AP*AP*GP*TP*T )-3'), PROTEIN (TATA-BINDING PROTEIN), ... | | 著者 | Kosa, P.F, Ghosh, G, Dedecker, B.S, Sigler, P.B. | | 登録日 | 1997-04-24 | | 公開日 | 1997-07-07 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The 2.1-A crystal structure of an archaeal preinitiation complex: TATA-box-binding protein/transcription factor (II)B core/TATA-box.
Proc.Natl.Acad.Sci.USA, 94, 1997
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7L79
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5U4L
 | | RTA-V1C7_G29R-high-salt | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | 著者 | Rudolph, M.J, Mantis, N. | | 登録日 | 2016-12-05 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins, 85, 2017
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6KPJ
 | | 298 K cryoEM structure of Sso-KARI in complex with Mg2+, NADH and CPD | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | 著者 | Chen, C.Y, Chang, Y.C, Lin, B.L, Huang, C.H, Tsai, M.D. | | 登録日 | 2019-08-15 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Temperature-Resolved Cryo-EM Uncovers Structural Bases of Temperature-Dependent Enzyme Functions.
J.Am.Chem.Soc., 141, 2019
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1LL9
 | | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin | | 分子名称: | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, beta-lactamase | | 著者 | Trehan, I, Morandi, F, Blaszczak, L.C, Shoichet, B.K. | | 登録日 | 2002-04-26 | | 公開日 | 2002-10-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Using steric hindrance to design new inhibitors of class C beta-lactamases.
Chem.Biol., 9, 2002
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7SUS
 | | Crystal structure of Apelin receptor in complex with small molecule | | 分子名称: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ... | | 著者 | Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M. | | 登録日 | 2021-11-18 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
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2OLU
 | | Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Apoenzyme | | 分子名称: | 1,2-ETHANEDIOL, Penicillin-binding protein 2 | | 著者 | Lovering, A.L, De Castro, L.H, Lim, D, Strynadka, N.C. | | 登録日 | 2007-01-19 | | 公開日 | 2007-03-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis.
Science, 315, 2007
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1LM4
 | | Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A | | 分子名称: | FE (III) ION, GLYCEROL, peptide deformylase PDF1 | | 著者 | Kreusch, A, Spraggon, G, Lee, C.C, Klock, H, McMullan, D, Ng, K, Shin, T, Vincent, J, Warner, I, Ericson, C, Lesley, S.A. | | 登録日 | 2002-04-30 | | 公開日 | 2003-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure analysis of peptide deformylases from streptococcus pneumoniae,staphylococcus aureus, thermotoga maritima, and pseudomonas aeruginosa: snapshots of the oxygen sensitivity of peptide deformylase
J.MOL.BIOL., 330, 2003
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7SYQ
 | | Structure of the wt IRES and 40S ribosome ternary complex, open conformation. Structure 11(wt) | | 分子名称: | 18S rRNA, Eukaryotic translation initiation factor 1A, X-chromosomal, ... | | 著者 | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | 登録日 | 2021-11-25 | | 公開日 | 2022-07-27 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
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4P67
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7SYP
 | | Structure of the wt IRES and 40S ribosome binary complex, open conformation. Structure 10(wt) | | 分子名称: | 18S rRNA, HCV IRES, HCV IRES partially loaded mRNA portion, ... | | 著者 | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | | 登録日 | 2021-11-25 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES.
Embo J., 41, 2022
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7GO3
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198162455 | | 分子名称: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine, DIMETHYL SULFOXIDE, Protease 3C | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GO6
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1203586731 | | 分子名称: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine, Protease 3C | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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6H9Y
 | | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Ciges-Tomas, J.R, Gozalbo-Rovira, R, Vila-Vicent, S, Buesa, J, Santiso-Bellon, C, Monedero, V, Yebra, M.J, Rodriguez-Diaz, J, Marina, A. | | 登録日 | 2018-08-06 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Unraveling the role of the secretor antigen in human rotavirus attachment to histo-blood group antigens.
Plos Pathog., 15, 2019
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7USI
 | | BRD2-BD1 in complex with MDP5 | | 分子名称: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2022-04-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma.
J Control Release, 354, 2023
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