7ZTC
 
 | | Non-muscle F-actin decorated with non-muscle tropomyosin 1.6 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Non-muscle tropomyosin 1.6, actin, ... | | Authors: | Selvaraj, M, Kokate, S, Kogan, K, Kotila, T, Kremneva, E, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2022-05-09 | | Release date: | 2023-01-11 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis underlying specific biochemical activities of non-muscle tropomyosin isoforms.
Cell Rep, 42, 2023
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8A4I
 | | Crystal structure of SALL4 zinc finger cluster 4 with AT-rich DNA | | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*TP*TP*AP*AP*TP*AP*TP*C)-3'), MAGNESIUM ION, Sal-like protein 4, ... | | Authors: | Watson, J.A, Pantier, R, Jayachandran, U, Chhatbar, K, Alexander-Howden, B, Kruusvee, V, Prendecki, M, Bird, A, Cook, A.G. | | Deposit date: | 2022-06-11 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome.
Life Sci Alliance, 6, 2023
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3CV9
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. | | Deposit date: | 2008-04-18 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1
Biochemistry, 47, 2008
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6T8U
 | | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6FTY
 | | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | | Descriptor: | 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL | | Authors: | Ostermann, N. | | Deposit date: | 2018-02-26 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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7ZXN
 | | cryo-EM structure of Connexin 32 gap junction channel | | Descriptor: | CHOLESTEROL, Gap junction beta-1 protein | | Authors: | Qi, C, Korkhov, V.M. | | Deposit date: | 2022-05-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
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7ZTL
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5C1M
 | | Crystal structure of active mu-opioid receptor bound to the agonist BU72 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | | Deposit date: | 2015-06-15 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
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7ZPC
 | | CDK2 in complex 9K-DOS | | Descriptor: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | | Authors: | Watt, J.E, Martin, M.P, Noble, M.E.N. | | Deposit date: | 2022-04-27 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
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5C1S
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6T6A
 | | Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | | Descriptor: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | [ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Molecules, 24, 2019
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3D14
 | | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | | Descriptor: | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | | Authors: | Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J. | | Deposit date: | 2008-05-04 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
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3CIB
 | | Structure of BACE Bound to SCH727596 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2008-03-11 | | Release date: | 2008-06-10 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3D20
 | | Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T. | | Deposit date: | 2008-05-07 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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3D2F
 | | Crystal structure of a complex of Sse1p and Hsp70 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Heat shock 70 kDa protein 1, ... | | Authors: | Polier, S, Bracher, A. | | Deposit date: | 2008-05-08 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the cooperation of Hsp70 and Hsp110 chaperones in protein folding.
Cell(Cambridge,Mass.), 133, 2008
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6FXV
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7ZLF
 | | Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with endogenous fatty acid | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin, CHLORIDE ION, ... | | Authors: | Loch, J.I, Kurpiewska, K, Bonarek, P. | | Deposit date: | 2022-04-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies.
J.Mol.Recognit., 36, 2023
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3CKX
 | | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine | | Descriptor: | STAUROSPORINE, Serine/threonine-protein kinase 24 | | Authors: | Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-17 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine.
To be Published
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7ZWG
 | | The Crystal structure of RO4493940 bound to CK2alpha | | Descriptor: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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7ZWE
 | | The Crystal structure of GW8695 bound to CK2alpha | | Descriptor: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
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7ZXO
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3CMP
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3CF6
 | | Structure of Epac2 in complex with cyclic-AMP and Rap | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, Rap guanine nucleotide exchange factor (GEF) 4, Ras-related protein Rap-1b, ... | | Authors: | Rehmann, H, Arias-Palomo, E, Hadders, M.A, Schwede, F, Llorca, O, Bos, J.L. | | Deposit date: | 2008-03-02 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B
Nature, 455, 2008
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6G3R
 | | Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Structure one of two TEW-HSP70 structures deposited. | | Descriptor: | 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ... | | Authors: | Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A. | | Deposit date: | 2018-03-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
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3CMY
 | | Structure of a homeodomain in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ... | | Authors: | Birrane, G, Ladias, J.A.A, Soni, A. | | Deposit date: | 2008-03-24 | | Release date: | 2009-02-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for DNA Recognition by the Human PAX3 Homeodomain.
Biochemistry, 48, 2009
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