6AQ4
 
 | | CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA | | Descriptor: | CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6AQZ
 | |
5KAB
 | | Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
8E9F
 | |
6HCC
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 1.6 A RESOLUTION. | | Descriptor: | 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), ACETATE ION, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2018-08-14 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.617 Å) | | Cite: | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
|
|
6EUN
 | | Crystal structure of Neisseria meningitidis vaccine antigen NadA variant 3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | | Authors: | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies.
MBio, 9, 2018
|
|
5KA2
 | | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant, open state | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.071 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
|
|
2UYJ
 | | Crystal structure of E. coli TdcF with bound ethylene glycol | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN TDCF | | Authors: | Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M. | | Deposit date: | 2007-04-10 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
|
|
4QW1
 | | yCP beta5-A50V mutant in complex with bortezomib | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | | Deposit date: | 2014-07-16 | | Release date: | 2015-02-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
|
|
6ARB
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A | | Descriptor: | COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.717 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
8JH2
 | | RNA polymerase II elongation complex bound with Elf1, Spt4/5 and foreign DNA, stalled at SHL(-1) of the nucleosome | | Descriptor: | DNA (218-MER), DNA (40-MER), DNA-directed RNA polymerase subunit, ... | | Authors: | Akatsu, M, Fujita, R, Ogasawara, M, Ehara, H, Kujirai, T, Takizawa, Y, Sekine, S, Kurumizaka, H. | | Deposit date: | 2023-05-22 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Cryo-EM structures of RNA polymerase II-nucleosome complexes rewrapping transcribed DNA.
J.Biol.Chem., 299, 2023
|
|
8S3C
 | | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 (unliganded) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Grzechowiak, M, Ruszkowski, M. | | Deposit date: | 2024-02-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Int.J.Biol.Macromol., 278, 2024
|
|
8EAZ
 | | HOIL-1/E2-Ub/Ub transthiolation complex | | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1, Ubiquitin, Ubiquitin-conjugating enzyme E2 L3, ... | | Authors: | Wang, X.S, Cotton, T.R, Lechtenberg, B.C. | | Deposit date: | 2022-08-30 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family.
Nat Commun, 14, 2023
|
|
8S38
 | | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with citrate and NAD | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | Authors: | Grzechowiak, M, Ruszkowski, M. | | Deposit date: | 2024-02-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Int.J.Biol.Macromol., 278, 2024
|
|
3V7B
 | | Dip2269 protein from corynebacterium diphtheriae | | Descriptor: | 1,2-ETHANEDIOL, Uncharacterized protein | | Authors: | Osipiuk, J, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.743 Å) | | Cite: | Dip2269 protein from corynebacterium diphtheriae.
To be Published
|
|
4YZ3
 | | Crystal Structure of Streptococcus pneumoniae NanC, in complex with Oseltamivir. | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase, SULFATE ION | | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | | Deposit date: | 2015-03-24 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of Streptococcus pneumoniae NanC.
To Be Published
|
|
3UK0
 | | RPD_1889 protein, an extracellular ligand-binding receptor from Rhodopseudomonas palustris. | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, Extracellular ligand-binding receptor, ... | | Authors: | Osipiuk, J, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-11-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
|
|
8AM0
 | | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | | Deposit date: | 2022-08-02 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.818 Å) | | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
|
|
9D5E
 | |
9D5G
 | |
9D5H
 | |
9D5F
 | | Crystal structure of the ILK/alpha-parvin core complex bound to bosutinib | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Alpha-parvin, ... | | Authors: | Fukuda, K, Qin, J. | | Deposit date: | 2024-08-13 | | Release date: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the ILK/alpha-parvin core complex bound to bosutinib
To Be Published
|
|
4R4I
 | | Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | | Descriptor: | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2014-08-19 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diphenylpyrazoles as replication protein a inhibitors.
ACS Med Chem Lett, 6, 2015
|
|
6EZP
 | | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | | Deposit date: | 2017-11-16 | | Release date: | 2018-04-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
|
|
5H17
 | | EED in complex with PRC2 allosteric inhibitor EED210 | | Descriptor: | (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
|
|
