7NZD
 
 | | Fourth SH3 domain of POSH (Plenty of SH3 Domains protein) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1 | | Authors: | Palencia, A, Bessa, L.M, Jensen, M.R. | | Deposit date: | 2021-03-23 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
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6SJA
 | | Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | | Deposit date: | 2019-08-13 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6
To be published
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5MTU
 | | Maltodextrin binding protein MalE1 from L. casei BL23 bound to alpha-cyclodextrin | | Descriptor: | Cyclohexakis-(1-4)-(alpha-D-glucopyranose), MalE1 | | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | | Deposit date: | 2017-01-10 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.999 Å) | | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
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5IYZ
 | | Tubulin-MMAE complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
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8TXZ
 | | Structure of C-terminal LRRK2 bound to MLi-2 | | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio-Louro, J, Leschziner, A. | | Deposit date: | 2023-08-24 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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8TZG
 | | Structure of C-terminal LRRK2 bound to MLi-2 (I2020T mutant) | | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ... | | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A. | | Deposit date: | 2023-08-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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6SK1
 | | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A | | Descriptor: | ACETATE ION, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase | | Authors: | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2019-08-14 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
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6FJ3
 | | High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist. | | Descriptor: | ACETIC ACID, CHLORIDE ION, OLEIC ACID, ... | | Authors: | Ehrenmann, J, Schoppe, J, Klenk, C, Rappas, M, Kummer, L, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-01-19 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.
Nat. Struct. Mol. Biol., 25, 2018
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6MZD
 | | Human TFIID Lobe A canonical | | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ... | | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | | Deposit date: | 2018-11-05 | | Release date: | 2018-11-28 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (9.8 Å) | | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA.
Science, 362, 2018
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6SRK
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6FI1
 | | Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2018-01-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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6N0F
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8TZC
 | | Structure of C-terminal LRRK2 bound to MLi-2 (G2019S mutant) | | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio-Louro, J, Leschziner, A. | | Deposit date: | 2023-08-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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7TGN
 | | Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Desferrioxamine synthetase DesD, ... | | Authors: | Patel, K.D, Gulick, A.M. | | Deposit date: | 2022-01-07 | | Release date: | 2022-07-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
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7BUA
 | | Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 8.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ... | | Authors: | Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M. | | Deposit date: | 2020-04-06 | | Release date: | 2020-05-13 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
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6STU
 | | Adenovirus 30 Fiber Knob protein | | Descriptor: | 1,2-ETHANEDIOL, Fiber, GLUTAMIC ACID | | Authors: | Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
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6FKJ
 | | Tubulin-TUB075 complex | | Descriptor: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Steinmetz, M.O, Priego, E.-M. | | Deposit date: | 2018-01-24 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design.
Sci Rep, 8, 2018
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4Y3T
 | | Endothiapepsin in complex with fragment 207 | | Descriptor: | (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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8TDO
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4YLK
 | | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-05 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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6FLC
 | | 2C8 Fab bound to EDIII of DenV 2 | | Descriptor: | Domain III of Dengue virus 2, GLYCEROL, Heavy chain of 2C8 Fab, ... | | Authors: | Flanagan, A, Renner, M, Grimes, J.M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-10-24 | | Last modified: | 2018-10-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
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8TDN
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6FKV
 | | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, ADH508) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldehyde dehydrogenase, CHLORIDE ION, ... | | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | | Deposit date: | 2018-01-24 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
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4Y5A
 | | Endothiapepsin in complex with fragment 206 | | Descriptor: | 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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7QHV
 | | Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | | Descriptor: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A, Davies, G.J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
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