8K1T
| Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of MgCl2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | Authors: | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB. Nat Commun, 15, 2024
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5JZS
| HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | Authors: | Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E. | Deposit date: | 2016-05-17 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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8BLT
| Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with taurocholate (TCA) | Descriptor: | Bile salt hydrolase, TAUROCHOLIC ACID | Authors: | Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses. Structure, 31, 2023
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8BLS
| Structure of Lactobacillus salivarius (Ls) bile salt hydrolase(BSH) in complex with Glycocholate (GCA) | Descriptor: | Bile salt hydrolase, GLYCOCHOLIC ACID | Authors: | Karlov, D.S, Long, S.L, Zeng, X, Xu, F, Lal, K, Cao, L, Hayoun, K, Lin, J, Joyce, S.A, Tikhonova, I.G. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the mechanism of bile salt hydrolase substrate specificity by experimental and computational analyses. Structure, 31, 2023
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6PQN
| Crystal structure of HzTransib transposase | Descriptor: | GLYCEROL, PHOSPHATE ION, Putative DNA-mediated transposase, ... | Authors: | Liu, C, Yang, Y, Schatz, D.G. | Deposit date: | 2019-07-09 | Release date: | 2019-10-09 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structures of a RAG-like transposase during cut-and-paste transposition. Nature, 575, 2019
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6SCM
| SOS1 in Complex with Inhibitor BI-3406 | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | Authors: | Kessler, D, Fischer, G, Ramharter, J. | Deposit date: | 2019-07-24 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition. Cancer Discov, 11, 2021
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8H2C
| Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni | Descriptor: | MANGANESE (II) ION, Pseudaminic acid synthase | Authors: | Song, W.S, Park, M.A, Ki, D.U, Yoon, S.I. | Deposit date: | 2022-10-05 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural analysis of the pseudaminic acid synthase PseI from Campylobacter jejuni. Biochem.Biophys.Res.Commun., 635, 2022
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6Y30
| NG domain of human SRP54 T115A mutant | Descriptor: | Signal recognition particle 54 kDa protein | Authors: | Juaire, K.D, Wild, K, Sinning, I. | Deposit date: | 2020-02-17 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia. Structure, 29, 2021
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8K1U
| Potassium transporter KtrAB from Bacillus subtilis in ATP-bound state with addition of EDTA and EGTA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | Authors: | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB. Nat Commun, 15, 2024
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7ZEG
| Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7GMP | Descriptor: | 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, MAGNESIUM ION, ... | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism. Pharmaceuticals, 15, 2022
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7ZEE
| Human cytosolic 5' nucleotidase IIIB | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methylguanosine phosphate-specific 5'-nucleotidase, ... | Authors: | Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism. Pharmaceuticals, 15, 2022
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6EU9
| Crystal structure of Platynereis dumerilii RAR ligand-binding domain in complex with all-trans retinoic acid | Descriptor: | RETINOIC ACID, Retinoic acid receptor | Authors: | Handberg-Thorsager, M, Gutierrez-Mazariegos, J, Arold, S.T, Nadendla, E.K, Bertucci, P.Y, Germain, P, Tomancak, P, Pierzchalski, K, Jones, J.W, Albalat, R, Kane, M.A, Bourguet, W, Laudet, V, Arendt, D, Schubert, M. | Deposit date: | 2017-10-29 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | The ancestral retinoic acid receptor was a low-affinity sensor triggering neuronal differentiation. Sci Adv, 4, 2018
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8K1S
| Potassium transporter KtrAB from Bacillus subtilis in ADP-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A, Ktr system potassium uptake protein B, ... | Authors: | Chang, Y.K, Chiang, W.T, Hu, N.J, Tsai, M.D. | Deposit date: | 2023-07-11 | Release date: | 2024-04-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural basis and synergism of ATP and Na + activation in bacterial K + uptake system KtrAB. Nat Commun, 15, 2024
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7K9I
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5UFC
| Crystal Structure of Variable Lymphocyte Receptor (VLR) Tn4-22 with H-trisaccharide bound | Descriptor: | Tn4-22, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Collins, B.C, Gunn, R.J, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | Deposit date: | 2017-01-04 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates. Structure, 25, 2017
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1BA1
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5CMN
| FLRT3 LRR domain in complex with LPHN3 Olfactomedin domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Latrophilin-3, ... | Authors: | Lu, Y, Salzman, G, Arac, D. | Deposit date: | 2015-07-17 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.605 Å) | Cite: | Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion. Structure, 23, 2015
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8BQR
| Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | Descriptor: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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5MA9
| GFP-binding DARPin fusion gc_R11 | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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4XXS
| Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Parris, K.D, Pandit, J. | Deposit date: | 2015-01-30 | Release date: | 2015-04-01 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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1BHS
| HUMAN ESTROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE | Descriptor: | 17BETA-HYDROXYSTEROID DEHYDROGENASE | Authors: | Ghosh, D. | Deposit date: | 1995-04-19 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of human estrogenic 17 beta-hydroxysteroid dehydrogenase at 2.20 A resolution. Structure, 3, 1995
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1B9E
| HUMAN INSULIN MUTANT SERB9GLU | Descriptor: | PROTEIN (INSULIN) | Authors: | Wang, D.C, Zeng, Z.H, Yao, Z.P, Li, H.M. | Deposit date: | 1998-11-12 | Release date: | 1999-11-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of an insulin dimer in an orthorhombic crystal: the structure analysis of a human insulin mutant (B9 Ser-->Glu). Acta Crystallogr.,Sect.D, 55, 1999
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8OF1
| Structure of ALDH5F1 from moss Physcomitrium patens in complex with NAD+ in the contracted conformation | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | Deposit date: | 2023-03-13 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway To Be Published
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6F16
| GLIC mutant H277Q | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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4Y1D
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