5I34
| Adenylosuccinate synthetase from Cryptococcus neoformans complexed with GDP and IMP | Descriptor: | Adenylosuccinate synthetase, GUANOSINE-5'-DIPHOSPHATE, INOSINIC ACID | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | Deposit date: | 2016-02-09 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans. Acs Infect Dis., 2, 2016
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5AB5
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8FI7
| Structure of Lettuce C20T bound to DFHO | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ... | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | Deposit date: | 2022-12-15 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Intricate 3D architecture of a DNA mimic of GFP. Nature, 618, 2023
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6WA0
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8FF8
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6WB3
| Crystal structure of coiled coil region of human septin 4 | Descriptor: | ACETATE ION, SULFATE ION, Septin-4 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-03-26 | Release date: | 2021-03-17 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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5ADG
| Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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6W9Y
| De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain proMP 1.2 | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published
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6WBE
| Crystal structure of coiled coil region of human septin 1 | Descriptor: | ACETATE ION, Septin-1, ZINC ION | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-03-26 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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5I4N
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6WBP
| Crystal structure of coiled coil region of human septin 6 | Descriptor: | CITRIC ACID, SULFATE ION, Septin-6 | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | Deposit date: | 2020-03-27 | Release date: | 2021-03-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis. J.Mol.Biol., 433, 2021
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6W9Z
| De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1 | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published
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8YK2
| Blood group B alpha-1,3-galactosidase AgaBb from Bifidobacterium bifidum, construct T7-tag_24-700 | Descriptor: | Alpha-galactosidase, GLYCEROL, SODIUM ION, ... | Authors: | Kashima, T, Akama, M, Ashida, H, Fushinobu, S. | Deposit date: | 2024-03-04 | Release date: | 2024-07-10 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal Structure of Bifidobacterium bifidum Glycoside Hydrolase Family 110 alpha-Galactosidase Specific for Blood Group B Antigen. J Appl Glycosci (1999), 71, 2024
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8H0C
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8FHX
| Structure of Lettuce aptamer bound to DFHBI-1T | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ... | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | Deposit date: | 2022-12-15 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Intricate 3D architecture of a DNA mimic of GFP. Nature, 618, 2023
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8H09
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6WA2
| Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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4ZZO
| Human ERK2 in complex with an irreversible inhibitor | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | Authors: | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | Deposit date: | 2015-04-10 | Release date: | 2015-05-27 | Last modified: | 2015-08-26 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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6WAK
| A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | Descriptor: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2020-03-25 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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8FG8
| Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one | Descriptor: | (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Schormann, N, Deivanayagam, C, Velu, S. | Deposit date: | 2022-12-12 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans . J.Med.Chem., 66, 2023
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8HGC
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8FQM
| ADC-7 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
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6W49
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC010) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, Malic enzyme, ... | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-10 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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8FQT
| Apo ADC-219 beta-lactamase | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
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6W57
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC069) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide | Authors: | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | Deposit date: | 2020-03-12 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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