8EW4
| Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
|
|
8EY5
| Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-26 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
|
|
8ER8
| |
8EU7
| |
8EW7
| Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2 | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | Authors: | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-10-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
|
|
8EYJ
| Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S mutant in complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Noske, G.D, Godoy, A.S, Oliva, G. | Deposit date: | 2022-10-27 | Release date: | 2022-11-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition. Nat Commun, 14, 2023
|
|
8EHC
| |
8F56
| |
8F4N
| Dimer of aminoglycoside efflux pump AcrD | Descriptor: | Efflux pump membrane transporter | Authors: | Zhang, Z. | Deposit date: | 2022-11-11 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity. Mbio, 14, 2023
|
|
8EHD
| Structure of Tannerella forsythia potempin E | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Potempin E (PotE) | Authors: | Gomis-Ruth, F.X. | Deposit date: | 2022-09-14 | Release date: | 2022-12-21 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci, 14, 2023
|
|
8EHE
| |
8F3E
| Trimer of aminoglycoside efflux pump AcrD | Descriptor: | Efflux pump membrane transporter | Authors: | Zhang, Z. | Deposit date: | 2022-11-10 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity. Mbio, 14, 2023
|
|
8ESH
| Structure of chimeric HLA-A*02:01 bound to CMV peptide | Descriptor: | Beta-2-microglobulin, CMV peptide, HLA-A*02:01 | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | Deposit date: | 2022-10-14 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules. Front Immunol, 14, 2023
|
|
8ESX
| HIV protease in complex with benzoxaborolone analog of darunavir | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | Deposit date: | 2022-10-15 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability. Acs Med.Chem.Lett., 14, 2023
|
|
6ESP
| |
8ESY
| D30N mutant HIV protease in complex with benzoxaborolone analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Graham, B.J, Raines, R.T. | Deposit date: | 2022-10-15 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inhibition of HIV-1 Protease by a Boronic Acid with High Oxidative Stability. Acs Med.Chem.Lett., 14, 2023
|
|
6FIJ
| Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T. | Deposit date: | 2018-01-18 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | The structural organization of substrate loading in iterative polyketide synthases. Nat. Chem. Biol., 14, 2018
|
|
6EYA
| |
6EYB
| |
8EXD
| |
6F1N
| Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | Descriptor: | 4-[5-[2-aminocarbonyl-3,6-bis(azanyl)-5-cyano-thieno[2,3-b]pyridin-4-yl]-2-methoxy-phenoxy]butanoic acid, Heat shock protein HSP 90-alpha, SULFATE ION | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | Deposit date: | 2017-11-22 | Release date: | 2018-05-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
|
|
8F70
| |
8ENL
| CryoEM structure of the high pH turnover-inactivated nitrogenase MoFe-protein | Descriptor: | CHAPSO, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | Deposit date: | 2022-09-30 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase. Nat Commun, 14, 2023
|
|
8ENN
| Homocitrate-deficient nitrogenase MoFe-protein from Azotobacter vinelandii nifV knockout | Descriptor: | CHAPSO, CITRIC ACID, FE (III) ION, ... | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | Deposit date: | 2022-09-30 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase. Nat Commun, 14, 2023
|
|
8ENM
| CryoEM structure of the high pH nitrogenase MoFe-protein under non-turnover conditions | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Warmack, R.A, Maggiolo, A.O, Rees, D.C. | Deposit date: | 2022-09-30 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Structural consequences of turnover-induced homocitrate loss in nitrogenase. Nat Commun, 14, 2023
|
|