6ZEW
 
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF2
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF4
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF3
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF7
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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6ZF0
 | | Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction | | Descriptor: | 5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2020-06-16 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
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3DAJ
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6A9X
 | | Crystal Structure of AnkG/GABARAP Complex | | Descriptor: | Ankyrin-3, Gamma-aminobutyric acid receptor-associated protein | | Authors: | Wang, C, Li, J, Chen, K, Zhang, M. | | Deposit date: | 2018-07-16 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Ankyrin-G regulates forebrain connectivity and network synchronization via interaction with GABARAP.
Mol. Psychiatry, 2018
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3V8K
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3E37
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3E27
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3E32
 | | Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 2 | | Descriptor: | FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide, Protein farnesyltransferase subunit beta, ... | | Authors: | Hast, M.A, Beese, L.S. | | Deposit date: | 2008-08-06 | | Release date: | 2009-03-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
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3V7R
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | Descriptor: | (3aS,4S,6aR)-4-(5-{1-[4-(6-amino-9H-purin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Biotin ligase | | Authors: | Yap, M.Y, Pendini, N.R. | | Deposit date: | 2011-12-21 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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3V8L
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3VVR
 | | Crystal structure of MATE in complex with MaD5 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide | | Authors: | Tanaka, Y, Ishitani, R, Nureki, O. | | Deposit date: | 2012-07-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
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3E30
 | | Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4 | | Descriptor: | FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ... | | Authors: | Hast, M.A, Beese, L.S. | | Deposit date: | 2008-08-06 | | Release date: | 2009-03-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
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3VUV
 | | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum bound to zinc | | Descriptor: | Erythrocyte membrane protein, putative, ZINC ION | | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | | Deposit date: | 2012-07-09 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum
J.Biol.Chem., 287, 2012
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3VVS
 | | Crystal structure of MATE in complex with MaD3S | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide | | Authors: | Tanaka, Y, Ishitani, R, Nureki, O. | | Deposit date: | 2012-07-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
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3VVO
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3VVN
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3VUU
 | | Crystal structure of the merozoite surface protein MSPDBL2 from P. falciparum | | Descriptor: | CHLORIDE ION, Erythrocyte membrane protein, putative | | Authors: | Czabotar, P.E, Hodder, A.N, Clarke, O.B, Lin, C.S, Smith, B.J, Cowman, A.F. | | Deposit date: | 2012-07-09 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Insights into Duffy binding-like domains through the crystal structure and function of the merozoite surface protein MSPDBL2 from Plasmodium falciparum
J.Biol.Chem., 287, 2012
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6ATS
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6ATU
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6AUP
 | | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | | Descriptor: | GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION | | Authors: | Gewe, M.M, Rupert, P, Strong, R.K. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
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3WOY
 | | Crystal structure of CLASP2 TOG domain (TOG2) | | Descriptor: | CLIP-associating protein 2 | | Authors: | Hayashi, I, Maki, T. | | Deposit date: | 2014-01-06 | | Release date: | 2015-05-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics
J. Mol. Biol., 427, 2015
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