6NVY
 
 | | Crystal structure of penicillin G acylase from Bacillus thermotolerans | | Descriptor: | CALCIUM ION, GLYCEROL, Penicillin G acylase | | Authors: | Blankenfeldt, W. | | Deposit date: | 2019-02-05 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
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6CWJ
 | | Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid | | Descriptor: | 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2018-03-30 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
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6O1I
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6D3K
 | | Crystal structure of unphosphorylated human PKR kinase domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced, double-stranded RNA-activated protein kinase, ... | | Authors: | Erlandsen, H, Mayo, C.B, Robinson, V.L, Cole, J.L. | | Deposit date: | 2018-04-16 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of Protein Kinase R Autophosphorylation.
Biochemistry, 58, 2019
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6D9E
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6QLX
 | | Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor | | Descriptor: | Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6O1J
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6O1A
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6O21
 | | Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | | Authors: | Ilyichova, O.V, Buckle, A.M. | | Deposit date: | 2019-02-22 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
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6NLK
 | | 1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13) | | Descriptor: | 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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6NNE
 | | Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine | | Descriptor: | 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.595 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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7RKA
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6QXL
 | | Crystal Structure of Pyruvate Kinase II (PykA) from Pseudomonas aeruginosa in complex with sodium malonate, magnesium and glucose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Abdelhamid, Y, Brear, P, Welch, M. | | Deposit date: | 2019-03-07 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
J.Biol.Chem., 294, 2019
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6QZJ
 | | Crystal structure of human Aquaporin 7 at 2.2 A resolution | | Descriptor: | Aquaporin-7, GLYCEROL, PHOSPHATE ION | | Authors: | de Mare, S.W.-H, Venskutonyte, R, Eltschkner, S, Lindkvist-Petersson, K. | | Deposit date: | 2019-03-11 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Glycerol Efflux and Selectivity of Human Aquaporin 7.
Structure, 28, 2020
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4OMN
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4OMQ
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4ON3
 | | Crystal structure of human sorting nexin 10 (SNX10) | | Descriptor: | NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Xu, T, Xu, J, Wang, Q, Liu, J. | | Deposit date: | 2014-01-28 | | Release date: | 2014-09-24 | | Last modified: | 2014-12-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
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6QLW
 | | Cathepsin-K in complex with MIV-710 | | Descriptor: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | | Authors: | Derbyshire, D.J. | | Deposit date: | 2019-02-01 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
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6KKL
 | | Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant) | | Descriptor: | Sugar efflux transporter, nonyl beta-D-glucopyranoside | | Authors: | Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D. | | Deposit date: | 2019-07-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
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7RJR
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with BCLTF1 | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 4, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
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7RJO
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with hnRNPK | | Descriptor: | ACETATE ION, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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7RJL
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with SHMT | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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4OMP
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7RJK
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, GLYCEROL, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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7RJN
 | | Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1 | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-associated transcription factor 1, Bromodomain-containing protein 3 | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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