7U60
 
 | | Integrin alpha IIB beta3 complex with cRGDfV | | 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, ARG-GLY-ASP-DPN-VAL, ... | | 著者 | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | 登録日 | 2022-03-03 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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5TXT
 | | Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ... | | 著者 | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | 登録日 | 2016-11-17 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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4LQC
 | | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry. | | 分子名称: | TcpB | | 著者 | Snyder, G.A, Smith, P, Fresquez, T, Cirl, C, Jiang, J, Snyder, N, Luchetti, T, Miethke, T, Xiao, T.S. | | 登録日 | 2013-07-17 | | 公開日 | 2013-12-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry.
J.Biol.Chem., 289, 2014
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9FXY
 | | Crystal Structure of Autotaxin (ENPP2) with Type IV Inhibitor | | 分子名称: | 3-(3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)propanenitrile, CALCIUM ION, GLYCEROL, ... | | 著者 | Borza, R, Joosten, R.P, Perrakis, A. | | 登録日 | 2024-07-02 | | 公開日 | 2025-04-23 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, Synthesis, and Biological Implications of Autotaxin inhibitors with a Three-Point lock binding mode.
Bioorg.Med.Chem., 124, 2025
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6ENS
 | | Structure of mouse wild-type RKIP | | 分子名称: | ACETATE ION, GLYCEROL, Phosphatidylethanolamine-binding protein 1 | | 著者 | Hirschbeck, M, Koelmel, W, Schindelin, H, Lorenz, K, Kisker, C. | | 登録日 | 2017-10-06 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5FZN
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2016-03-15 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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9D6L
 | | Human Sec61 complex inhibited by KZR-261 | | 分子名称: | 4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline, Protein transport protein Sec61 subunit alpha isoform 1, Protein transport protein Sec61 subunit beta, ... | | 著者 | Park, E, Wang, L. | | 登録日 | 2024-08-15 | | 公開日 | 2025-07-23 | | 最終更新日 | 2025-07-30 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Preclinical characterization of novel multi-client inhibitors of Sec61 with broad antitumor activity.
J.Pharmacol.Exp.Ther., 392, 2025
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6TGI
 | | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | | 分子名称: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2019-11-15 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6A92
 | | Crystal structure of a cyclase Filc1 from Fischerella sp. | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2018-07-11 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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4R3P
 | | Crystal structures of EGFR in complex with Mig6 | | 分子名称: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1 | | 著者 | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | | 登録日 | 2014-08-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.905 Å) | | 主引用文献 | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
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5MWT
 | | Galectin-1 in Complex with Ligand JB97 | | 分子名称: | BETA-MERCAPTOETHANOL, Galectin-1, SULFATE ION, ... | | 著者 | Grimm, C, Bechold, J. | | 登録日 | 2017-01-19 | | 公開日 | 2018-02-14 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.711 Å) | | 主引用文献 | Structural insights into the redesign of a sucrose phosphorylase by induced loop repositioning
To Be Published
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7EBF
 | | Cryo-EM structure of Isocitrate lyase-1 from Candida albicans | | 分子名称: | Isocitrate lyase | | 著者 | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-06-23 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | | 主引用文献 | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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5U7J
 | | PDE2 catalytic domain complexed with inhibitors | | 分子名称: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Pandit, J, Parris, K. | | 登録日 | 2016-12-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor.
J. Med. Chem., 60, 2017
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6ADW
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7TXL
 | | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | | 分子名称: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium | | 著者 | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2022-02-09 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine.
Nat Commun, 13, 2022
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6PU0
 | | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | | 分子名称: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | 登録日 | 2019-07-16 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8979 Å) | | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8C2R
 | | SARS-CoV2 Omicron BA.1 spike in complex with CAB-A17 antibody | | 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, CAB-A17 antibody (HC), ... | | 著者 | Das, H, Hallberg, B.M. | | 登録日 | 2022-12-22 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-12-04 | | 実験手法 | ELECTRON MICROSCOPY (2.56 Å) | | 主引用文献 | Structural basis of broad SARS-CoV-2 cross-neutralization by affinity-matured public antibodies.
Cell Rep Med, 5, 2024
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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | 分子名称: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | 著者 | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | 登録日 | 2005-08-12 | | 公開日 | 2005-10-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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6Q0O
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7TXK
 | | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | | 分子名称: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), SULFATE ION, ... | | 著者 | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2022-02-09 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine.
Nat Commun, 13, 2022
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4RDW
 | | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutaric acid | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C. | | 登録日 | 2014-09-19 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.591 Å) | | 主引用文献 | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutaric acid
To be Published
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4RA1
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5FNQ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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4YQ1
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | To Be Published
To be published
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4YQR
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | (4-amino-1,2,5-oxadiazol-3-yl)(4-methylpiperazin-1-yl)methanone, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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