6YO7
 
 | | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | 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 | | Descriptor: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 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 | | Descriptor: | E3 ubiquitin-protein ligase HACE1 | | Authors: | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J, Machida, S. | | Deposit date: | 2022-10-26 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | 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 | | Descriptor: | E3 ubiquitin-protein ligase HACE1 | | Authors: | Singh, S, Machida, S, Tulsian, N.K, Choong, Y.K, Ng, J, Shanker, S, Yaochen, L.D, Shi, J, Sivaraman, J. | | Deposit date: | 2022-10-24 | | Release date: | 2023-06-28 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | 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 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2016-12-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | | Deposit date: | 2022-11-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | | Authors: | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ... | | Authors: | Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J. | | Deposit date: | 2015-02-07 | | Release date: | 2015-09-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 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 | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | 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 | | Descriptor: | NICKEL (II) ION, Signal transducer and activator of transcription 6 | | Authors: | Li, J, Niu, F, Ouyang, S, Liu, Z. | | Deposit date: | 2015-02-12 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.708 Å) | | Cite: | 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 | | Descriptor: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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 | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | 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 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | | Deposit date: | 2020-03-04 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | 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 | | Descriptor: | Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 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 | | Descriptor: | Insulin-like growth factor 1 receptor, Insulin-like growth factor I | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-28 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | 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 | | Descriptor: | Insulin, Insulin receptor | | Authors: | Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E. | | Deposit date: | 2022-10-29 | | Release date: | 2022-11-09 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | 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 | | Descriptor: | CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ... | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 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 | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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6YJ3
 | | Metala-Carborane di-propyl-sulfonamide | | Descriptor: | Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. | | Deposit date: | 2020-04-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 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 | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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 | | Descriptor: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | | Authors: | 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. | | Deposit date: | 2017-02-10 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Beenken, A, Cerutti, G, Fitzpatrick, A.W, Barasch, J, Shapiro, L. | | Deposit date: | 2022-09-27 | | Release date: | 2023-02-08 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | 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 | | Descriptor: | Anti-testosterone Fab 220 heavy chain, Anti-testosterone Fab 220 light chain, TESTOSTERONE | | Authors: | Eronen, V, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 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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