7MIU
| Mouse CTPS2 bound to inhibitor R80 | Descriptor: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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6UZM
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6RNA
| RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol | Descriptor: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Haile, P.A. | Deposit date: | 2019-05-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J.Med.Chem., 62, 2019
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6M9C
| PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin | Descriptor: | ACETIC ACID, CALCIUM ION, Pseudotyrostatin, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-23 | Release date: | 2018-10-24 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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6S5A
| CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | Deposit date: | 2019-07-01 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation. Protein Eng.Des.Sel., 32, 2019
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4R2W
| X-ray structure of uridine phosphorylase from Shewanella oneidensis MR-1 in complex with uridine at 1.6 A resolution | Descriptor: | GLYCEROL, SULFATE ION, URIDINE, ... | Authors: | Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Veiko, V.P, Popov, V.O, Polyakov, K.P. | Deposit date: | 2014-08-13 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine. Acta Crystallogr.,Sect.D, 70, 2014
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8GAK
| Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | Deposit date: | 2023-02-23 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA. J Struct Biol X, 8, 2023
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6VDN
| HCV NS3/4A protease A156T mutant | Descriptor: | GLYCEROL, Non-structural protein 4A, Serine protease NS3, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-12-27 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | apo HCV protease A156T To Be Published
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4R71
| Structure of the Qbeta holoenzyme complex in the P1211 crystal form | Descriptor: | 30S ribosomal protein S1, Elongation factor Ts, Elongation factor Tu, ... | Authors: | Gytz, H, Seweryn, P, Kutlubaeva, Z, Chetverin, A.B, Brodersen, D.E, Knudsen, C.R. | Deposit date: | 2014-08-26 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural basis for RNA-genome recognition during bacteriophage Q beta replication. Nucleic Acids Res., 43, 2015
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4R11
| A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | Descriptor: | Cadherin-related hmr-1, IODIDE ION, Protein humpback-2 | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | Deposit date: | 2014-08-03 | Release date: | 2015-04-29 | Method: | X-RAY DIFFRACTION (2.789 Å) | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo Dev.Cell, 33, 2015
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8GHR
| Structure of human ENPP1 in complex with variable heavy domain VH27.2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | Authors: | Carozza, J.A, Wang, H, Solomon, P.E, Wells, J.A, Li, L. | Deposit date: | 2023-03-10 | Release date: | 2023-08-02 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery of VH domains that allosterically inhibit ENPP1. Nat.Chem.Biol., 20, 2024
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7A3E
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5FZF
| Crystal structure of the catalytic domain of human JARID1B in complex with MC3962 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3962 To be Published
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6PDN
| Human PIM1 bound to benzothiophene inhibitor 292 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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6LVB
| Structure of Dimethylformamidase, tetramer | Descriptor: | FE (III) ION, N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | Authors: | Arya, C.A, Yadav, S, Fine, J, Casanal, A, Chopra, G, Ramanathan, G, Subramanian, R, Vinothkumar, K.R. | Deposit date: | 2020-02-02 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase. Angew.Chem.Int.Ed.Engl., 59, 2020
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6PDO
| Human PIM1 bound to benzothiophene inhibitor 354 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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3LNP
| Crystal Structure of Amidohydrolase family Protein OLEI01672_1_465 from Oleispira antarctica | Descriptor: | ACETIC ACID, Amidohydrolase family Protein OLEI01672_1_465, CALCIUM ION, ... | Authors: | Kim, Y, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-02 | Release date: | 2010-02-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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4E8T
| Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Ca2+ and an oligonucleotide fragment substrate (low energy dataset) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-R(*AP*UP*UP*UP*AP*UP*UP*A)-3', CALCIUM ION, ... | Authors: | Marcia, M, Pyle, A.M. | Deposit date: | 2012-03-20 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Visualizing Group II Intron Catalysis through the Stages of Splicing. Cell(Cambridge,Mass.), 151, 2012
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4R3W
| Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-2'-5'-DIPHOSPHATE, ... | Authors: | Pavlovsky, A.G, Viola, R.E. | Deposit date: | 2014-08-18 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway. Acta Crystallogr.,Sect.D, 70, 2014
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5FET
| Crystal Structure of PVX_084705 in presence of Compound 2 | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2 To be published
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5MAZ
| STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 3-Thiophenesulfonamide-2,5-dimethyl-N-methyl-beta-L-fucopyranoside | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | Authors: | Sommer, R, Imberty, A, Titz, A, Varrot, A. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of a new class of C-glycoside based inhibitors of the virulence factor LecB from Pseudomonas aeruginosa To Be Published
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6XZ1
| Conjugate of the HECT domain of HUWE1 with ubiquitin | Descriptor: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | Authors: | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | Deposit date: | 2020-01-31 | Release date: | 2021-08-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe. Acs Chem.Biol., 16, 2021
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4XX6
| Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... | Authors: | Stogios, P.J, Nocek, B, Xu, X, Cui, H, Lowden, M, Savchenko, A. | Deposit date: | 2015-01-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum. To Be Published
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6RV8
| Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor covalent complex with the aldouronic acid UXXR | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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8GHS
| Empty HBV Cp183 capsid with importin-beta, subparticle reconstruction at 2-fold location | Descriptor: | Capsid protein | Authors: | Kim, C, Schlicksup, C.J, Hadden-Perilla, J.A, Wang, J.C.-Y, Zlotnick, A. | Deposit date: | 2023-03-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Hepatitis B virus capsid quasi-6-fold with a trapped C-terminal domain reveals capsid movements associated with domain exit. J.Biol.Chem., 299, 2023
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