7A98
 
 | | SARS-CoV-2 Spike Glycoprotein with 3 ACE2 Bound | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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7A95
 | | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Clockwise Direction | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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5JAV
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-04-12 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91D at cryogenic temperature
To be Published
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7A96
 | | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Anticlockwise Direction | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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7A97
 | | SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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7A94
 | | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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5NJL
 | | Cwp2 from Clostridium difficile | | Descriptor: | Cell surface protein (Putative S-layer protein), SULFATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-03-29 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cwp2 from Clostridium difficile exhibits an extended three domain fold and cell adhesion in vitro.
FEBS J., 284, 2017
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5J22
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L103D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-03-29 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L103D at cryogenic temperature
To be Published
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5KGU
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS N118D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-06-13 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS N118D at cryogenic temperature
To be Published
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5G2N
 | | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | | Deposit date: | 2016-04-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
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7A93
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7A92
 | | Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Unmasked Refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-30 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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7A91
 | | Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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6HDF
 | | D170N variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.4 A. | | Descriptor: | 1,2-ETHANEDIOL, Beta-phosphoglucomutase, SODIUM ION | | Authors: | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | | Deposit date: | 2018-08-17 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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5OQ3
 | | High resolution structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cwp19, ... | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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5OQ2
 | | Se-SAD structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, Cwp19, PHOSPHATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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5T7R
 | | A6-A11 trans-dicarba human insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Menting, J.G, Lawrence, M.C, Robinson, A.J, Forbes, B.E. | | Deposit date: | 2016-09-05 | | Release date: | 2017-12-06 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Insulin in motion: The A6-A11 disulfide bond allosterically modulates structural transitions required for insulin activity.
Sci Rep, 7, 2017
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7CID
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI4
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIC
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI9
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI5
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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4DS6
 | | Crystal structure of a group II intron in the pre-catalytic state | | Descriptor: | MAGNESIUM ION, Mutant Group IIC Intron | | Authors: | Chan, R.T, Robart, A.R, Rajashankar, K.R, Pyle, A.M, Toor, N. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.644 Å) | | Cite: | Crystal structure of a group II intron in the pre-catalytic state.
Nat.Struct.Mol.Biol., 19, 2012
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7CIB
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | Descriptor: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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4ZII
 | | Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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