6UTA
| Crystal structure of Z004 iGL Fab in complex with ZIKV EDIII | 分子名称: | Env, Z004 iGL Fab heavy chain, Z004 iGL Fab light chain | 著者 | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | 登録日 | 2019-10-29 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody. Proc.Natl.Acad.Sci.USA, 117, 2020
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7TD0
| Lysophosphatidic acid receptor 1-Gi complex bound to LPA | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | 登録日 | 2021-12-30 | 公開日 | 2022-02-09 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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6UWT
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5F0E
| Murine endoplasmic reticulum alpha-glucosidase II | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | 登録日 | 2015-11-27 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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4I1K
| Crystal Structure of VRN1 (Residues 208-341) | 分子名称: | B3 domain-containing transcription factor VRN1, CHLORIDE ION | 著者 | King, G, Chanson, A.H, McCallum, E.J, Ohme-Takagi, M, Byriel, K, Hill, J.M, Martin, J.L, Mylne, J.S. | 登録日 | 2012-11-21 | 公開日 | 2012-12-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Arabidopsis B3 Domain Protein VERNALIZATION1 (VRN1) Is Involved in Processes Essential for Development, with Structural and Mutational Studies Revealing Its DNA-binding Surface. J.Biol.Chem., 288, 2013
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7AH1
| L19 diabody fragment from immunocytokine L19-IL2 | 分子名称: | Anti-(ED-B) scFV | 著者 | Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F. | 登録日 | 2020-09-23 | 公開日 | 2021-02-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inference of molecular structure for characterization and improvement of clinical grade immunocytokines. J.Struct.Biol., 213, 2021
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5Y14
| Crystal structure of LP-40/N44 | 分子名称: | LP-40, N44 | 著者 | Zhang, X, Wang, X, He, Y. | 登録日 | 2017-07-19 | 公開日 | 2017-11-08 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | 主引用文献 | Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition J. Virol., 91, 2017
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7T01
| SARS-CoV-2 S-RBD + Fab 54042-4 | 分子名称: | 54042-4 Fab - Heavy Chain, 54042-4 Fab - Light Chain, Spike protein S1 | 著者 | Johnson, N.V, Mclellan, J.S. | 登録日 | 2021-11-29 | 公開日 | 2022-04-13 | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | 主引用文献 | Potent neutralization of SARS-CoV-2 variants of concern by an antibody with an uncommon genetic signature and structural mode of spike recognition. Cell Rep, 37, 2021
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7APN
| Structure of Lipase TL from bulk agarose grown crystal | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | 登録日 | 2020-10-19 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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7APP
| Structure of Lipase TL from capillary grown crystal in the presence of agarose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Lipase, ... | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | 登録日 | 2020-10-19 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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5Y4L
| PRRSV nsp4 | 分子名称: | Non-structural protein | 著者 | Shi, Y.J, Gang, Y, Peng, G.Q. | 登録日 | 2017-08-04 | 公開日 | 2018-01-17 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus. Vet. Microbiol., 213, 2018
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6UVO
| Structure of antibody 3G12 bound to the central conserved domain of RSV G | 分子名称: | 3G12 Fab Heavy chain, 3G12 Fab light chain, Major surface glycoprotein G | 著者 | Fedechkin, S.O, George, N.L, Nunez Castrejon, A.M, Dillen, J, Kauvar, L.M, DuBois, R.M. | 登録日 | 2019-11-03 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Conformational Flexibility in Respiratory Syncytial Virus G Neutralizing Epitopes. J.Virol., 94, 2020
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6UWY
| DYRK1A bound to a harmine derivative | 分子名称: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | 著者 | Khamrui, S, Lazarus, M.B. | 登録日 | 2019-11-05 | 公開日 | 2020-02-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor. J.Med.Chem., 63, 2020
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4I5M
| Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | 登録日 | 2012-11-28 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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4I8N
| CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID | 分子名称: | Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid | 著者 | Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H. | 登録日 | 2012-12-03 | 公開日 | 2012-12-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor. Protein Pept.Lett., 21, 2014
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7T7G
| Imipenem-OXA-23 2 minute complex | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase OXA-23 | 著者 | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | 登録日 | 2021-12-15 | 公開日 | 2022-05-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation. Mbio, 13, 2022
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7B39
| Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist | 分子名称: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | 著者 | Rochel, N. | 登録日 | 2020-11-29 | 公開日 | 2021-09-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17. Chemistry, 27, 2021
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4I6H
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7AWI
| Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | 分子名称: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Goral, I, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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5Y5N
| Crystal structure of human Sirtuin 2 in complex with a selective inhibitor | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | 著者 | Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. | 登録日 | 2017-08-09 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site. Chem Sci, 8, 2017
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7AWG
| Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 | Brazzolotto, X, Wichur, T, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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7AWH
| Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 | Brazzolotto, X, Wichur, T, Wieckowska, A. | 登録日 | 2020-11-08 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem., 225, 2021
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5Y7K
| Crystal structure of human DPP4 in complex with inhibitor1 | 分子名称: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4 | 著者 | Lee, H.K, Kim, E.E. | 登録日 | 2017-08-17 | 公開日 | 2019-03-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | 主引用文献 | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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7AIV
| Crystal structure of Torpedo Californica acetylcholinesterase in complex with 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide | 分子名称: | 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide, Acetylcholinesterase | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2020-09-28 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J.Med.Chem., 64, 2021
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7AIT
| Crystal structure of Torpedo Californica acetylcholinesterase in complex with 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide | 分子名称: | 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide, Acetylcholinesterase | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2020-09-28 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J.Med.Chem., 64, 2021
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