5TF8
 
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFJ
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFF
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.891 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TGK
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-28 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
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5T63
 | | The HhoA protease from Synechocystis sp. PCC 6803 | | Descriptor: | ALA-ALA-ALA-ALA, MAGNESIUM ION, Putative serine protease HhoA | | Authors: | Persson, K, Hall, M, Funk, C. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
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5T69
 | | The HhoA protease from Synechocystis sp. PCC 6803, active site mutant | | Descriptor: | ACETATE ION, MAGNESIUM ION, Putative serine protease HhoA | | Authors: | Persson, K, Hall, M, Funk, C. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
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7S3B
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8C6Y
 | | PBP AccA from A. tumefaciens Bo542 in apoform 2 | | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA | | Authors: | Morera, S, Vigouroux, A, legrand, P. | | Deposit date: | 2023-01-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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8CB9
 | | PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate | | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA | | Authors: | Morera, S, Vigouroux, A. | | Deposit date: | 2023-01-25 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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7S1X
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8PIP
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7S1Z
 | | Cryo-EM structure of Human NKCC1 K289NA492EL671C | | Descriptor: | Solute carrier family 12 member 2 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2021-09-02 | | Release date: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
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7S1Y
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8PJW
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8COO
 | | Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA | | Descriptor: | Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3') | | Authors: | Nicastro, G, Abis, G, Taylor, I.A, Ramos, A. | | Deposit date: | 2023-02-28 | | Release date: | 2024-02-07 | | Method: | SOLUTION NMR | | Cite: | Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers.
Nucleic Acids Res., 51, 2023
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8EUM
 | | MicroED structure of an Aeropyrum pernix protoglobin mutant | | Descriptor: | FE (III) ION, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Danelius, E, Gonen, T, Unge, J.T. | | Deposit date: | 2022-10-18 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | | Cite: | MicroED Structure of a Protoglobin Reactive Carbene Intermediate.
J.Am.Chem.Soc., 145, 2023
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8CEX
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6TWN
 | | Crystal structure of Talin1 R7R8 in complex with CDK1 (206-223) | | Descriptor: | CHLORIDE ION, Cyclin-dependent kinase 1, GLYCEROL, ... | | Authors: | Zacharchenko, T, Muench, S.P, Goult, B.T. | | Deposit date: | 2020-01-13 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Talin mechanosensitivity is modulated by a direct interaction with cyclin-dependent kinase-1.
J.Biol.Chem., 297, 2021
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6UNP
 | | Crystal structure of the kinase domain of BMPR2-D485G | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | Authors: | Agnew, C, Jura, N. | | Deposit date: | 2019-10-13 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6TUY
 | | Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mattevi, A, Marrocco, B. | | Deposit date: | 2020-01-08 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
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7RWE
 | | Crystal structure of CDK2 liganded with compound GPHR787 | | Descriptor: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-08-19 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
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6TW7
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6TW8
 | | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917 | | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A. | | Deposit date: | 2020-01-12 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
To Be Published
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6TWG
 | | Solution structure of antimicrobial peptide, crabrolin Plus in the presence of Lipopolysaccharide | | Descriptor: | Crabrolin Plus, mutant of Crabrolin peptide | | Authors: | Cantini, F, Bouchemal, N, Savarin, P, Sette, M. | | Deposit date: | 2020-01-13 | | Release date: | 2020-07-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Effect of positive charges in the structural interaction of crabrolin isoforms with lipopolysaccharide.
J.Pept.Sci., 26, 2020
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8PSR
 | | ERK2 covalently bound to SynthRevD-12-opt artificial peptide | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Gogl, G, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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