4QF2
 
 | | Crystal structure of human BAZ2A PHD zinc finger in the free form | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Tallant, C, Overvoorde, L, Van Molle, I, Chirgadze, D.Y, Ciulli, A. | | Deposit date: | 2014-05-19 | | Release date: | 2014-07-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
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4QHJ
 | | Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F | | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein MJ1213, ... | | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | | Deposit date: | 2014-05-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
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3R9N
 | | CDK2 in complex with inhibitor RC-2-21 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-25 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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5J5Z
 | | Crystal structure of the D444V disease-causing mutant of the human dihydrolipoamide dehydrogenase | | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Szabo, E, Mizsei, R, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2016-04-04 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
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4QJG
 | | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V | | Descriptor: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-06-03 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V
To be Published
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2IS3
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2J1N
 | | osmoporin OmpC | | Descriptor: | CHLORIDE ION, DODECANE, MAGNESIUM ION, ... | | Authors: | Basle, A, Storici, P, Rummel, G, Rosenbusch, J.P, Schirmer, T. | | Deposit date: | 2006-08-15 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Osmoporin Ompc from E. Coli at 2.0 A.
J.Mol.Biol., 362, 2006
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5J0L
 | | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | | Descriptor: | designed protein 3L6HC2_2 | | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | | Deposit date: | 2016-03-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
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2DTY
 | | Crystal structure of basic winged bean lectin complexed with N-acetyl-D-galactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Basic agglutinin, CALCIUM ION, ... | | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2006-07-19 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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3R2B
 | | MK2 kinase bound to Compound 5b | | Descriptor: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2 | | Authors: | Oubrie, A, van Zeeland, M, Versteegh, J. | | Deposit date: | 2011-03-14 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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5IUX
 | | GLIC-V135C bimane labelled X-ray structure | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, ACETATE ION, ... | | Authors: | Fourati, Z, Menny, A, Delarue, M. | | Deposit date: | 2016-03-18 | | Release date: | 2017-03-29 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of a pre-active conformation of a pentameric channel receptor.
Elife, 6, 2017
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4PVP
 | | Crystal structure of malonate-bound human L-asparaginase protein | | Descriptor: | Isoaspartyl peptidase/L-asparaginase, MALONATE ION, SODIUM ION | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-03-18 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis.
Biochemistry, 51, 2012
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4PXX
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7NT1
 | | Crystal structure of SARS CoV2 main protease in complex with FSP007 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4PYI
 | | human apo COMT | | Descriptor: | Catechol O-methyltransferase, SODIUM ION | | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2014-03-27 | | Release date: | 2014-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
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4PYR
 | | Structure of a putative branched-chain amino acid ABC transporter from Chromobacterium violaceum ATCC 12472 | | Descriptor: | GLUTATHIONE, Putative branched-chain amino acid ABC transporter | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-03-27 | | Release date: | 2014-04-23 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a putative branched-chain amino acid ABC transporter from Chromobacterium violaceum ATCC 12472
To be Published
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7NT2
 | | Crystal structure of SARS CoV2 main protease in complex with FSP006 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3RK7
 | | CDK2 in complex with inhibitor RC-2-71 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-17 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4PYZ
 | | Crystal structure of the first two Ubl domains of Deubiquitylase USP7 | | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Walker, J.R, Dong, A, Ong, M.S, Dhe-Paganon, S, Kania, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-03-28 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structure of the first two Ubl domains of Deubiquitylase USP7
to be published
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7NTJ
 | | PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex | | Descriptor: | Envelope small membrane protein, MAGUK p55 subfamily member 5 | | Authors: | Javorsky, A, Kvansakul, M. | | Deposit date: | 2021-03-10 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
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4PZN
 | | Crystal structure of PHC3 SAM L971E | | Descriptor: | 1,2-ETHANEDIOL, Polyhomeotic-like protein 3 | | Authors: | Nanyes, D.R, Junco, S.E, Taylor, A.B, Robinson, A.K, Patterson, N.L, Shivarajpur, A, Halloran, J, Hale, S.M, Kaur, Y, Hart, P.J, Kim, C.A. | | Deposit date: | 2014-03-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multiple polymer architectures of human polyhomeotic homolog 3 sterile alpha motif.
Proteins, 82, 2014
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5JBR
 | | Crystal structure of uncharacterized protein Bcav_2135 from Beutenbergia cavernae | | Descriptor: | SULFATE ION, Uncharacterized protein Bcav_2135 | | Authors: | Chang, C, Cuff, M, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-04-13 | | Release date: | 2016-04-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of uncharacterized protein Bcav_2135 from Beutenbergia cavernae
To Be Published
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4Q4P
 | | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | | Descriptor: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Neeb, M, Heine, A, Klebe, G. | | Deposit date: | 2014-04-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme.
J.Med.Chem., 57, 2014
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5JCV
 | | Sortase B from Listeria monocytogenes. | | Descriptor: | CHLORIDE ION, Lmo2181 protein, SULFATE ION | | Authors: | Osipiuk, J, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-04-15 | | Release date: | 2016-04-27 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Sortase B from Listeria monocytogenes.
to be published
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7NR2
 | | The structure of the SBP TarP_Sse in complex with coumarate | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-02 | | Release date: | 2021-10-06 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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