7K2S
 
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPETGE] | | Descriptor: | B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2C
 | | Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEAA | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEAA, SULFATE ION | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2K
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-DEETGE] | | Descriptor: | BAL-ASP-GLU-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2P
 | | Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[AVA-DPETGE] | | Descriptor: | (DAV)DPETGE, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2D
 | | Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDEETGE-NH2 | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 linear peptide, Ace-GDEETGE-NH2 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2Q
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE] | | Descriptor: | ACA-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7JPH
 | | Crystal structure of EBOV glycoprotein with modified HR1c and HR2 stalk at 3.2 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | | Authors: | Chaudhary, A, Stanfield, R.L, Wilson, I.A, Zhu, J. | | Deposit date: | 2020-08-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.195 Å) | | Cite: | Single-component multilayered self-assembling nanoparticles presenting rationally designed glycoprotein trimers as Ebola virus vaccines.
Nat Commun, 12, 2021
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7K2L
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-NPETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[BAL-NPETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7JPI
 | | Crystal structure of EBOV glycoprotein with modified HR2 stalk at 2.3A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | | Authors: | Chaudhary, A, Stanfield, R.L, Wilson, I.A, Zhu, J. | | Deposit date: | 2020-08-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Single-component multilayered self-assembling nanoparticles presenting rationally designed glycoprotein trimers as Ebola virus vaccines.
Nat Commun, 12, 2021
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7K2F
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAEETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAEETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2R
 | | Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[LhA-DEETGE] | | Descriptor: | B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K29
 | | Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEAL | | Descriptor: | ACE-LEU-ASP-GLU-GLU-THR-GLY-GLU-ALA-LEU-NH2, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2I
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAPETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K7U
 | | BetaB2-crystallin | | Descriptor: | Beta-crystallin B2 | | Authors: | Tan, L.L, Jackson, C.J. | | Deposit date: | 2020-09-24 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | BetaB2-crystallin
To Be Published
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7L7F
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7L7K
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7KKZ
 | | Crystal structure of mouse anti-HIV potent neutralizing antibody M4H2K1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Heavy chain of Fab fragment of mouse monoclonal antibody M4H2K1, ... | | Authors: | Kumar, S, Wilson, I.A. | | Deposit date: | 2020-10-28 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
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7KMD
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7KLC
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7L0L
 | | Cryo-EM structure of the VRC316 clinical trial, vaccine-elicited, human antibody 316-310-1B11 in complex with an H2 CAN05 HA trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 316-310-1B11 Heavy Chain, 316-310-1B11 Light Chain, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-11-03 | | Last modified: | 2022-03-09 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination.
Nat Med, 28, 2022
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7JMO
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-04 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-04 heavy chain, COVA2-04 light chain, ... | | Authors: | Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-08-02 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.359 Å) | | Cite: | An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain.
Cell Rep, 33, 2020
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7JN5
 | | Crystal structure of SARS-CoV receptor binding domain in complex with human antibody CR3022 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, ... | | Authors: | Wu, N.C, Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2020-08-03 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | A natural mutation between SARS-CoV-2 and SARS-CoV determines neutralization by a cross-reactive antibody.
Plos Pathog., 16, 2020
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7K99
 | | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | | Descriptor: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2020-09-28 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
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7LLK
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7LHE
 | | Structure of full-length IP3R1 channel reconstituted into lipid nanodisc in the apo-state | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION | | Authors: | Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I. | | Deposit date: | 2021-01-22 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of type 1 IP3R channel in a lipid bilayer
Commun Biol, 4, 2021
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