8CAA
 
 | | Crystal structure of TEAD4 in complex with YTP-13 | | 分子名称: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid, 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide, PHOSPHATE ION, ... | | 著者 | Scheufler, C, Kallen, J. | | 登録日 | 2023-01-24 | | 公開日 | 2023-04-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors.
Chemmedchem, 18, 2023
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6NMV
 | | Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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5EGH
 | | Structure of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase in complex with phosphocholine | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Morita, J, Kano, K, Kato, K, Takita, H, Ishitani, R, Nishimasu, H, Nureki, O, Aoki, J. | | 登録日 | 2015-10-27 | | 公開日 | 2016-03-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | Structure and biological function of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase
Sci Rep, 6, 2016
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6TSH
 | | Beta-galactosidase in complex with deoxygalacto-nojirimycin | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION | | 著者 | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | 登録日 | 2019-12-20 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | | 主引用文献 | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6TTH
 | | PKM2 in complex with L-threonine | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE | | 著者 | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | 登録日 | 2019-12-27 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6TTQ
 | | PKM2 in complex with Compound 10 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM | | 著者 | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | 登録日 | 2019-12-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6YGN
 | | Titin kinase and its flanking domains | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Titin | | 著者 | Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O. | | 登録日 | 2020-03-27 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere.
Embo Rep., 22, 2021
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5C7J
 | | CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT | | 分子名称: | E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C | | 著者 | Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-24 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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6YM5
 | | Crystal structure of BAY-091 with PIP4K2A | | 分子名称: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6ZVJ
 | | Structure of a human ABCE1-bound 43S pre-initiation complex - State II | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | 著者 | Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R. | | 登録日 | 2020-07-24 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
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4Y50
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5N5H
 | | Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | | 登録日 | 2017-02-14 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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6YM3
 | | Crystal structure of Compound 1 with PIP4K2A | | 分子名称: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM4
 | | Crystal structure of BAY-297 with PIP4K2A | | 分子名称: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | 著者 | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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6YN2
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6ZOR
 | | Oestrogen receptor ligand binding domain in complex with compound 28 | | 分子名称: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2020-07-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
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8D9Z
 | | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8DA1
 | | Crystal structure of Krait alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | Alpha-bungarotoxin, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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6NMU
 | | Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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5N5G
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8DA0
 | | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-3FTX-D09 Fab heavy chain, ... | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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5N5I
 | | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | | 登録日 | 2017-02-14 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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6NQB
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6W23
 | | ClpA Disengaged State bound to RepA-GFP (Focused Classification) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | | 著者 | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
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