6YO7
 
 | | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
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6YO2
 | | Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
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8HAE
 | | Cryo-EM structure of HACE1 dimer | | 分子名称: | E3 ubiquitin-protein ligase HACE1 | | 著者 | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J, Machida, S. | | 登録日 | 2022-10-26 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (4.55 Å) | | 主引用文献 | Structural Basis for the Enzymatic Activity of the HACE1 HECT-Type E3 Ligase Through N-Terminal Helix Dimerization.
Adv Sci, 10, 2023
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8H8X
 | | Cryo-EM structure of HACE1 monomer | | 分子名称: | E3 ubiquitin-protein ligase HACE1 | | 著者 | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J. | | 登録日 | 2022-10-24 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Structural Basis for the Enzymatic Activity of the HACE1 HECT-Type E3 Ligase Through N-Terminal Helix Dimerization.
Adv Sci, 10, 2023
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5MLA
 | | Crystal structure of human RAS in complex with darpin K55 | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | | 登録日 | 2016-12-06 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
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8F5Y
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | | 分子名称: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | | 登録日 | 2022-11-15 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
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5K32
 | | PDE4D crystal structure in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | | 著者 | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | | 登録日 | 2016-05-19 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
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4Y1A
 | | immune complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ... | | 著者 | Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J. | | 登録日 | 2015-02-07 | | 公開日 | 2015-09-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
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5K4I
 | | Crystal Structure of ERK2 in complex with compound 22 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2016-05-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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8EZ0
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation | | 分子名称: | Insulin, Insulin receptor | | 著者 | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | 登録日 | 2022-10-29 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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4Y5U
 | | Transcription factor | | 分子名称: | NICKEL (II) ION, Signal transducer and activator of transcription 6 | | 著者 | Li, J, Niu, F, Ouyang, S, Liu, Z. | | 登録日 | 2015-02-12 | | 公開日 | 2016-02-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.708 Å) | | 主引用文献 | Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
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6YO4
 | | Para-Carborane propyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
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8EYX
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1 | | 分子名称: | Insulin, Insulin receptor | | 著者 | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | 登録日 | 2022-10-29 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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6W20
 | | ClpAP Disengaged State bound to RepA-GFP | | 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 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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6YOK
 | | Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
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8EYR
 | | Cryo-EM structure of two IGF1 bound full-length mouse IGF1R mutant (four glycine residues inserted in the alpha-CT; IGF1R-P674G4): symmetric conformation | | 分子名称: | Insulin-like growth factor 1 receptor, Insulin-like growth factor I | | 著者 | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | 登録日 | 2022-10-28 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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8EYY
 | | Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2 | | 分子名称: | Insulin, Insulin receptor | | 著者 | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | 登録日 | 2022-10-29 | | 公開日 | 2022-11-09 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
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6YKC
 | | Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic | | 分子名称: | CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ... | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-04-06 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
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8EXS
 | | Cryo-EM structure of S. aureus BlaR1 F284A mutant | | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | 著者 | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | | 登録日 | 2022-10-25 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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6YJ3
 | | Metala-Carborane di-propyl-sulfonamide | | 分子名称: | Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION | | 著者 | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. | | 登録日 | 2020-04-02 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
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8EXT
 | | Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin | | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | 著者 | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | | 登録日 | 2022-10-25 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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6XZV
 | | Structure of zVDR LBD-Calcitriol in complex with chimera 18 | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, URA-UIA-URL-URY-URV-UZN-LYS, Vitamin D3 receptor A | | 著者 | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | 登録日 | 2020-02-05 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5N49
 | | BRPF2 in complex with Compound 7 | | 分子名称: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | | 著者 | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | | 登録日 | 2017-02-10 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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8EM7
 | | Cryo-EM structure of LRP2 at pH 5.2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 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 | Beenken, A, Cerutti, G, Fitzpatrick, A.W, Barasch, J, Shapiro, L. | | 登録日 | 2022-09-27 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-03-08 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structures of LRP2 reveal a molecular machine for endocytosis.
Cell, 186, 2023
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8RTW
 | | Crystal Structure of the Anti-testosterone Fab in Complex with Testosterone | | 分子名称: | Anti-testosterone Fab 220 heavy chain, Anti-testosterone Fab 220 light chain, TESTOSTERONE | | 著者 | Eronen, V, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | 登録日 | 2024-01-29 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural insights into ternary immunocomplex formation and cross-reactivity: binding of an anti-immunocomplex FabB12 to Fab220-testosterone complex.
Febs J., 2024
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