8CTT
 
 | | Crystal structure of a K+ selective NaK mutant (NaK2K) at 100K | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein | | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | Deposit date: | 2022-05-16 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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5NDD
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-08 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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7OZ3
 | | S. agalactiae BusR in complex with its busA-promotor DNA | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GntR family transcriptional regulator, pBusA_for, ... | | Authors: | Bandera, A.M, Witte, G. | | Deposit date: | 2021-06-25 | | Release date: | 2021-08-11 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
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6YUM
 | | CK2 alpha bound to unclosed Macrocycle | | Descriptor: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Hanke, T, Kurz, C, Celik, I, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-27 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor.
Eur.J.Med.Chem., 208, 2020
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6N60
 | | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | | Deposit date: | 2018-11-23 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6W58
 | | hPGDS complexed with an aza-quinoline | | Descriptor: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase | | Authors: | Elkins, P.A, Ward, P. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure.
Bioorg.Med.Chem., 28, 2020
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7BJC
 | | Inulosucrase from Halalkalicoccus jeotgali in complex with sucrose | | Descriptor: | Levansucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Ghauri, K, Pijning, T, Munawar, N, Ali, H, Ghauri, M.A, Anwar, M.A, Wallis, R. | | Deposit date: | 2021-01-14 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal structure of an inulosucrase from Halalkalicoccus jeotgali B3T, a halophilic archaeal strain.
Febs J., 288, 2021
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8CTV
 | | Crystal structure of a K+ selective NaK mutant (NaK2K) -Tl+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION, ... | | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | Deposit date: | 2022-05-16 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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6YWZ
 | | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | | Descriptor: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | | Deposit date: | 2020-04-30 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
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8CTU
 | | Crystal structure of a K+ selective NaK mutant (NaK2K) at Room temperature | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | Deposit date: | 2022-05-16 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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6QGG
 | | Structure of human Bcl-2 in complex with analogue of ABT-737 | | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-11 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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8CTS
 | | Room temperature crystal structure of a K+ selective NaK mutant (NaK2K) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | Deposit date: | 2022-05-16 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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7BE3
 | | Human Galectin-3 in complex with LacdiNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Trovao, F, Carvalho, A.L. | | Deposit date: | 2020-12-22 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27, 2021
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7QTF
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with sodium succinate | | Descriptor: | ACETATE ION, MALONATE ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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8RSA
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6NMU
 | | Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | Descriptor: | Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | Authors: | Wibowo, A.S, Carter, J.J, Sim, J. | | Deposit date: | 2019-01-11 | | Release date: | 2019-08-07 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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7QWH
 | | X-ray structure of the adduct formed upon reaction of a vanadium hydroxyquinoline complex with RNase A | | Descriptor: | 2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene, Ribonuclease pancreatic | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2022-01-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Interaction of VIVO-8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization
Inorg Chem Front, 2023
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6QKL
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6NPN
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | | Descriptor: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
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6QD5
 | | X-ray Structure of the Human Urea Channel SLC14A1/UT1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, TETRAETHYLENE GLYCOL, Urea transporter 1, ... | | Authors: | Dietz, L, Chi, G, Pike, A.C.W, Moreau, C, Man, H, Snee, M, Scacioc, A, Shrestha, L, Mukhopadhyay, S.M.M, Mckinley, G, Ellis, K, Kliszcak, M, Chalk, R, Borkowska, O, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Durr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-31 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | X-ray Structure of the Human Urea Channel SLC14A1/UT1
To Be Published
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6VS6
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6QDM
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6Q1X
 | | Lasso peptide pandonodin | | Descriptor: | Pandonodin | | Authors: | Link, A.J, Cheung-Lee, W.L. | | Deposit date: | 2019-08-06 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Pandonodin: A Proteobacterial Lasso Peptide with an Exceptionally Long C-Terminal Tail.
Acs Chem.Biol., 14, 2019
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7BM8
 | | Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed with CTP-gamma-S | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Chromosome-partitioning protein ParB, MAGNESIUM ION | | Authors: | Jalal, A.S, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2021-01-19 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
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6PSO
 | | Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose | | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-13 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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