5LBO
 
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2016-06-16 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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6O7X
 | | Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 3 | | 分子名称: | Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | | 著者 | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | | 登録日 | 2019-03-08 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (8.7 Å) | | 主引用文献 | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6TZ7
 | | Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | 分子名称: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | 著者 | Fox III, D, Horanyi, P.S. | | 登録日 | 2019-08-10 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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8BN6
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | | 分子名称: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | 著者 | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | 登録日 | 2022-11-12 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
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6OA3
 | | Structure of human PARG complexed with JA2131 | | 分子名称: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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6O9Y
 | | Structure of human PARG complexed with JA2-8 | | 分子名称: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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7MP2
 | | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 1D-MYO-INOSITOL 1,5-BISDIPHOSPHATE TETRAKISPHOSPHATE (1,5-PP IP4) | | 分子名称: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], S-arrestin | | 著者 | Sander, C.L, Palczewski, K, Kiser, P.D. | | 登録日 | 2021-05-04 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7MP0
 | | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 1D-MYO-INOSITOL 5-DIPHOSPHATE PENTAKISPHOSPHATE (5-PP IP5) | | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, 2-ETHOXYETHANOL, S-arrestin | | 著者 | Sander, C.L, Palczewski, K, Kiser, P.D. | | 登録日 | 2021-05-04 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7MP1
 | | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH 1,5-DI-METHYLENEBISPHOSPHONATE INOSITOL TETRAKISPHOSPHATE (1,5-PCP-IP4) | | 分子名称: | S-arrestin, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | | 著者 | Sander, C.L, Palczewski, K, Kiser, P.D. | | 登録日 | 2021-05-04 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
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7M2K
 | | CDC34A-Ubiquitin-2ab inhibitor complex | | 分子名称: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | | 著者 | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | | 登録日 | 2021-03-16 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex.
Sci Adv, 7, 2021
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6EN6
 | | Crystal structure B of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. | | 分子名称: | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D. | | 登録日 | 2017-10-04 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme.
J. Med. Chem., 61, 2018
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8BS8
 | | Bovine naive ultralong antibody AbD08 collected at 100K | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain | | 著者 | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | | 登録日 | 2022-11-24 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies.
Acta Crystallogr.,Sect.F, 80, 2024
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8BR2
 | | CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ... | | 著者 | Appleby, R, Bollschweiler, D, Pellegrini, L. | | 登録日 | 2022-11-22 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
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7Y6U
 | | Symmetry-expanded and locally refined protomer structure of IPEC-J2 cell-derived PEDV PT52 S with a CTD-close conformation | | 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, Spike glycoprotein, ... | | 著者 | Hsu, S.T.D, Draczkowski, P, Wang, Y.S. | | 登録日 | 2022-06-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2022-09-14 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM.
Nat Commun, 13, 2022
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7Y6V
 | | Symmetry-expanded and locally refined protomer structure of IPEC-J2 cell-derived PEDV PT52 S with a CTD-open conformation | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hsu, S.T.D, Draczkowski, P, Wang, Y.S. | | 登録日 | 2022-06-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2022-09-14 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM.
Nat Commun, 13, 2022
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6OMB
 | | Cdc48 Hexamer (Subunits A to E) with substrate bound to the central pore | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ... | | 著者 | Cooney, I, Han, H, Stewart, M, Carson, R.H, Hansen, D, Price, J.C, Hill, C.P, Shen, P.S. | | 登録日 | 2019-04-18 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of the Cdc48 segregase in the act of unfolding an authentic substrate.
Science, 365, 2019
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7Y6S
 | | Cryo-EM map of IPEC-J2 cell-derived PEDV PT52 S protein with three D0-up | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hsu, S.T.D, Draczkowski, P, Wang, Y.S. | | 登録日 | 2022-06-21 | | 公開日 | 2022-08-03 | | 最終更新日 | 2022-09-14 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | In situ structure and dynamics of an alphacoronavirus spike protein by cryo-ET and cryo-EM.
Nat Commun, 13, 2022
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8SBU
 | | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii | | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | 登録日 | 2023-04-04 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii
To be published
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8DPA
 | | Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | 分子名称: | AvrM14-B, SULFATE ION | | 著者 | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | 登録日 | 2022-07-15 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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8EEQ
 | | CryoEM structures of bAE1 captured in multiple states. | | 分子名称: | Anion exchange protein | | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | 登録日 | 2022-09-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
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8DP9
 | | Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini | | 分子名称: | AvrM14-B, SULFATE ION | | 著者 | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | | 登録日 | 2022-07-15 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
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7ONF
 | | The binding of p-coumaroyl glucose to glycogen phosphorylase reveals the relationship between structural data and effects on cell metabolome | | 分子名称: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | | 著者 | Tsagkarakou, A.S, Koulas, S.M, Kyriakis, E, Drakou, C.E, Leonidas, D.D. | | 登録日 | 2021-05-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure activity relationship of the binding of p-coumaroyl glucose to glycogen phosphorylase and its effect on hepatic cell metabolic pathways
Eur J Med Chem Rep, 3, 2021
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8DP8
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8E55
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7M5W
 | | Crystal structure of the HMG-C1 domain of human capicua bound to DNA | | 分子名称: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*TP*TP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*AP*AP*AP*GP*C)-3'), ... | | 著者 | Webb, J.P, Liew, J.J.M, Gnann, A.D, Dowling, D.P. | | 登録日 | 2021-03-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Molecular basis of DNA recognition by the HMG-box-C1 module of Capicua
Biorxiv, 2022
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