6BPI
| Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-23 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates to be published
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6IAR
| Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | Descriptor: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | Authors: | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | Deposit date: | 2018-11-27 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J.Med.Chem., 62, 2019
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4RF3
| Crystal Structure of ketoreductase from Lactobacillus kefir, mutant A94F | Descriptor: | GLYCEROL, MAGNESIUM ION, NADPH dependent R-specific alcohol dehydrogenase | Authors: | Tang, Y, Tibrewal, N, Cascio, D. | Deposit date: | 2014-09-24 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Origins of stereoselectivity in evolved ketoreductases. Proc.Natl.Acad.Sci.USA, 112, 2015
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6IJI
| Crystal structure of PDE10 in complex with inhibitor 2b | Descriptor: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.Y, Yu, Y.F, Zhang, C, Wu, D, Wu, Y, Luo, H.B. | Deposit date: | 2018-10-10 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J. Med. Chem., 62, 2019
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6BRC
| Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) | Descriptor: | 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-30 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) To Be Published
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1KZT
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1KZZ
| DOWNSTREAM REGULATOR TANK BINDS TO THE CD40 RECOGNITION SITE ON TRAF3 | Descriptor: | TNF receptor associated factor 3, TRAF family member-associated NF-kappa-b activator | Authors: | Li, C, Ni, C.-Z, Havert, M.L, Cabezas, E, He, J, Kaiser, D, Reed, J.C, Satterthwait, A.C, Cheng, G, Ely, K.R. | Deposit date: | 2002-02-08 | Release date: | 2002-04-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Downstream regulator TANK binds to the CD40 recognition site on TRAF3. Structure, 10, 2002
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6BT4
| Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit | Descriptor: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION | Authors: | Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-12-05 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis. Biochemistry, 57, 2018
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4QRG
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4QRV
| Crystal structure of I86F mutant of papain | Descriptor: | CHLORIDE ION, Papain, SODIUM ION | Authors: | Dutta, S, Choudhury, D, Roy, S. | Deposit date: | 2014-07-02 | Release date: | 2015-08-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight to be published
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6BW9
| Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 1 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6ZXK
| Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement | Descriptor: | Lethal factor, Protective antigen | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | Deposit date: | 2020-07-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state. Plos Pathog., 16, 2020
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1MFW
| STRUCTURE OF N-TERMINAL DOUBLECORTIN DOMAIN FROM DCLK: SELENOMETHIONINE LABELED PROTEIN | Descriptor: | DOUBLECORTIN-LIKE KINASE (N-TERMINAL DOMAIN), SULFATE ION | Authors: | Kim, M.H, Cierpickil, T, Derewenda, U, Krowarsch, D, Feng, Y, Devedjiev, Y, Dauter, Z, Walsh, C.A, Otlewski, J, Bushweller, J.H, Derewenda, Z. | Deposit date: | 2002-08-13 | Release date: | 2003-04-29 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase Nat.Struct.Biol., 10, 2003
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1MG2
| MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN | Descriptor: | Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ... | Authors: | Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L. | Deposit date: | 2002-08-14 | Release date: | 2002-12-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | MUTATION OF AlPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN Biochemistry, 41, 2002
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6ZYJ
| Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Yan, Y, Preissler, S, Ron, D. | Deposit date: | 2020-08-01 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes. Elife, 9, 2020
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6ZXL
| Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement | Descriptor: | Lethal factor, Protective antigen | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | Deposit date: | 2020-07-29 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state. Plos Pathog., 16, 2020
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6C17
| Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M, Herschlag, D. | Deposit date: | 2018-01-04 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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6C2T
| Aurora A ligand complex | Descriptor: | (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ... | Authors: | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | Deposit date: | 2018-01-08 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene. Cancer Discov, 9, 2019
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1MK7
| CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA | Descriptor: | Integrin Beta3, TALIN | Authors: | Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C. | Deposit date: | 2002-08-28 | Release date: | 2003-01-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Determinants of Integrin Recognition by Talin Mol.Cell, 11, 2003
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3ZJB
| The structure of the TRAF domain of human TRAF4 | Descriptor: | CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4 | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F. | Deposit date: | 2013-01-17 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration. Plos Biol., 11, 2013
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6ZXX
| Catabolic reductive dehalogenase NpRdhA, N-terminally tagged. | Descriptor: | 3 bromo 4 hydroxybenzoic acid, 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid, BROMIDE ION, ... | Authors: | Leys, D, Halliwell, T. | Deposit date: | 2020-07-30 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope. Microorganisms, 8, 2020
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6BKU
| Crystal Structure of the Human CAMKK2B bound to GSK650394 | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-09 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Human CAMKK2B bound to GSK650394 To Be Published
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6I7G
| Crystal structure of dimeric wild type FICD complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6I7Z
| Dye type peroxidase Aa from Streptomyces lividans: 32.8 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-19 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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4QRX
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