7O2L
 
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
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8DEC
 | | Cryo-EM Structure of Western Equine Encephalitis Virus | | Descriptor: | Capsid protein, Spike glycoprotein E1, Spike glycoprotein E2 | | Authors: | Pletnev, S, Verardi, R, Roedeger, M, Kwong, P. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
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1FJS
 | | CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA | | Descriptor: | CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2000-08-08 | | Release date: | 2000-10-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
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6YEK
 | | Crystal structure of human NEMO apo form | | Descriptor: | Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b | | Authors: | Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
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8DED
 | | Cryo-EM Structure of Western Equine Encephalitis Virus VLP in complex with SKW19 fab | | Descriptor: | SKW19 Fab heavy chain, SKW19 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Pletnev, S, Tsybovsky, Y, Verardi, R, Roedeger, M, Kwong, P. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
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5K55
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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5GVQ
 | | Solution structure of the first RRM domain of human spliceosomal protein SF3b49 | | Descriptor: | Splicing factor 3B subunit 4 | | Authors: | Kuwasako, K, Nameki, N, Tsuda, K, Takahashi, M, Sato, A, Tochio, N, Inoue, M, Terada, T, Kigawa, T, Kobayashi, N, Shirouzu, M, Ito, T, Sakamoto, T, Wakamatsu, K, Guntert, P, Takahashi, S, Yokoyama, S, Muto, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2016-09-06 | | Release date: | 2017-04-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the first RNA recognition motif domain of human spliceosomal protein SF3b49 and its mode of interaction with a SF3b145 fragment.
Protein Sci., 26, 2017
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8DEE
 | | Asymmetric Unit of Western Equine Encephalitis Virus | | Descriptor: | Capsid protein, Spike glycoprotein E1, Spike glycoprotein E2 | | Authors: | Pletnev, S, Verardi, R, Roedeger, M, Kwong, P. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
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8DEF
 | | Cryo-EM Structure of Western Equine Encephalitis Virus VLP in complex with SKW24 fab | | Descriptor: | SKW24 Fab heavy chain, SKW24 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Pletnev, S, Tsybovsky, Y, Verardi, R, Roedeger, M, Kwong, P.D. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
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5K5T
 | | Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
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4R50
 | | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein | | Authors: | De March, M, Napolitano, L.M.R, Onesti, S. | | Deposit date: | 2014-08-20 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3J9G
 | | Atomic model of the VipA/VipB, the type six secretion system contractile sheath of Vibrio cholerae from cryo-EM | | Descriptor: | VipA, VipB | | Authors: | Kudryashev, M, Wang, R.Y.-R, Brackmann, M, Scherer, S, Maier, T, Baker, D, DiMaio, F, Stahlberg, H, Egelman, E.H, Basler, M. | | Deposit date: | 2015-01-16 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the Type VI Secretion System Contractile Sheath.
Cell(Cambridge,Mass.), 160, 2015
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6Y99
 | | hSTING mutant R232K in complex with 2',3'-cGAMP | | Descriptor: | Stimulator of interferon genes protein, cGAMP | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.984 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YDB
 | | Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP | | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-03-20 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6YDZ
 | | Human wtSTING in complex with 3',3'-cGAMP | | Descriptor: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5F8K
 | | Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
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5MRP
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
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6YEA
 | | Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP | | Descriptor: | 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein | | Authors: | Boura, E, Smola, M. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5FT4
 | | Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution | | Descriptor: | CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ... | | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2016-01-11 | | Release date: | 2016-12-21 | | Last modified: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model
Acs Catalysis, 6, 2016
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7QZD
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikF with an engineered HMA domain of Pikp-1 (Pikp-SNK-EKE) from rice (Oryza sativa) | | Descriptor: | Avr-Pik, Resistance protein Pikp-1 | | Authors: | Maidment, J.H.R, Franceschetti, M, Longya, A, Banfield, M.J. | | Deposit date: | 2022-01-31 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor.
Elife, 12, 2023
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1FRF
 | | CRYSTAL STRUCTURE OF THE NI-FE HYDROGENASE FROM DESULFOVIBRIO FRUCTOSOVORANS | | Descriptor: | FE (III) ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Montet, Y, Volbeda, A, Piras, C, Hatchikian, E.C, Frey, M, Fontecilla, J.C. | | Deposit date: | 1998-07-21 | | Release date: | 1998-07-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 3Fe-4S] to [4Fe-4S] cluster conversion in Desulfovibrio fructosovorans [NiFe] hydrogenase by site-directed mutagenesis
Proc.Natl.Acad.Sci.USA, 95, 1998
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5K56
 | | Human muscle fructose-1,6-bisphosphatase in active R-state in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2 | | Authors: | Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D. | | Deposit date: | 2016-05-23 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structural studies of human muscle FBPase
To Be Published
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4QQK
 | | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS | | Descriptor: | (5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine, GLYCEROL, Protein arginine N-methyltransferase 6, ... | | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-27 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
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5FNZ
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6TNC
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | Deposit date: | 2019-12-06 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
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