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
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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
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8ER8
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8EU7
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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
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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
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8EHC
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8F56
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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
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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
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8EHE
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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
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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
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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
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6ESP
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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
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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
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6EYA
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6EYB
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8EXD
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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
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8F70
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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
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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
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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
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