4CSJ
 
 | | The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | | Deposit date: | 2014-03-07 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation.
Bioorg.Med.Chem.Lett., 24, 2014
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6W66
 | | The structure of the F64A, S172A mutant Keap1-BTB domain in complex with SKP1-FBXL17 | | Descriptor: | F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, S-phase kinase-associated protein 1 | | Authors: | Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M. | | Deposit date: | 2020-03-16 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Structural basis for dimerization quality control.
Nature, 586, 2020
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1Q3K
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7JNY
 | | Crystal structure of CXCL13 | | Descriptor: | C-X-C motif chemokine 13 | | Authors: | Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J. | | Deposit date: | 2020-08-05 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity.
Acta Crystallogr D Struct Biol, 76, 2020
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7A99
 | | Crystal structure of the Phe57Trp mutant of the arginine-bound form of domain 1 from TmArgBP | | Descriptor: | ACETATE ION, ARGININE, Amino acid ABC transporter, ... | | Authors: | Balasco, N, Vitagliano, L, Smaldone, G, Ruggiero, A. | | Deposit date: | 2020-09-01 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Development of a Protein Scaffold for Arginine Sensing Generated through the Dissection of the Arginine-Binding Protein from Thermotoga maritima .
Int J Mol Sci, 21, 2020
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3M84
 | | Crystal Structure of Phosphoribosylaminoimidazole Synthetase from Francisella tularensis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-17 | | Release date: | 2010-07-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal Structure of Phosphoribosylaminoimidazole Synthetase from
Francisella tularensis
To be Published
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2VN0
 | | CYP2C8DH COMPLEXED WITH TROGLITAZONE | | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, CYTOCHROME P450 2C8, PALMITIC ACID, ... | | Authors: | Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F. | | Deposit date: | 2008-01-30 | | Release date: | 2008-04-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
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6Y1Z
 | | Mouse serotonin 5HT3 receptor in complex with palonosetron | | Descriptor: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zarkadas, E, Perot, J, Nury, H. | | Deposit date: | 2020-02-14 | | Release date: | 2020-03-04 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor.
Structure, 28, 2020
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7PMN
 | | S. cerevisiae replisome-SCF(Dia2) complex bound to double-stranded DNA (conformation II) | | Descriptor: | Cell division control protein 45,Cell division control protein 45, Chromosome segregation in meiosis protein 3, DNA polymerase alpha-binding protein, ... | | Authors: | Jenkyn-Bedford, M, Yeeles, J.T.P, Deegan, T.D. | | Deposit date: | 2021-09-02 | | Release date: | 2021-11-10 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A conserved mechanism for regulating replisome disassembly in eukaryotes.
Nature, 600, 2021
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6XF6
 | | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
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2GA3
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6CP0
 | | SdcA in complex with the E2, UbcH5C | | Descriptor: | SdcA, Ubiquitin-conjugating enzyme E2 D3 | | Authors: | Wasilko, D.J, Huang, Q, Mao, Y. | | Deposit date: | 2018-03-13 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Insights into the ubiquitin transfer cascade catalyzed by theLegionellaeffector SidC.
Elife, 7, 2018
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3UNE
 | | Mouse constitutive 20S proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | | Deposit date: | 2011-11-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
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8FV2
 | | Bromodomain of CBP liganded with CCS-1477 | | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2023-01-18 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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2NUA
 | | C123aV Mutant of E. coli Succinyl-CoA Synthetase | | Descriptor: | COENZYME A, PHOSPHATE ION, SULFATE ION, ... | | Authors: | Fraser, M.E. | | Deposit date: | 2006-11-08 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2NU9
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1RD4
 | | An allosteric inhibitor of LFA-1 bound to its I-domain | | Descriptor: | 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L | | Authors: | Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A. | | Deposit date: | 2003-11-05 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
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1E2M
 | | HPT + HMTT | | Descriptor: | 6-HYDROXYPROPYLTHYMINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | | Deposit date: | 2000-05-23 | | Release date: | 2001-03-31 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase
Protein Sci., 10, 2001
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5H1V
 | | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | | Descriptor: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | | Authors: | Liu, J. | | Deposit date: | 2016-10-11 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
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3MNR
 | | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | | Descriptor: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | | Deposit date: | 2010-04-22 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
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3MKN
 | | Crystal structure of the E. coli pyrimidine nucleosidase YeiK bound to a competitive inhibitor | | Descriptor: | (2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol, CALCIUM ION, Putative uncharacterized protein YeiK | | Authors: | Garau, G, Fornili, A, Giabbai, B, Degano, M. | | Deposit date: | 2010-04-15 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Energy Landscapes Associated with Macromolecular Conformational Changes from Endpoint Structures
J.Am.Chem.Soc., 132, 2010
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2N1A
 | | Docked structure between SUMO1 and ZZ-domain from CBP | | Descriptor: | CREB-binding protein, Small ubiquitin-related modifier 1, ZINC ION | | Authors: | Diehl, C. | | Deposit date: | 2015-03-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of a Complex between Small Ubiquitin-like Modifier 1 (SUMO1) and the ZZ Domain of CREB-binding Protein (CBP/p300) Reveals a New Interaction Surface on SUMO.
J.Biol.Chem., 291, 2016
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4OK5
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2I42
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8P8G
 | | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Maslac, N, Wagner, T. | | Deposit date: | 2023-06-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
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