8DMM
| Structure of the vanadate-trapped MsbA bound to KDL | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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8DMO
| Structure of open, inward-facing MsbA from E. coli | Descriptor: | ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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8DHY
| N-terminal fragment of MsbA fused to GFP in complex with copper(II) | Descriptor: | COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein | Authors: | Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A. | Deposit date: | 2022-06-28 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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5GRJ
| Crystal structure of human PD-L1 with monoclonal antibody avelumab | Descriptor: | Programmed cell death 1 ligand 1, avelumab H chain, avelumab L chain | Authors: | Liu, K, Tan, S, Chai, Y, Chen, D, Song, H, Zhang, C.W.-H, Shi, Y, Liu, J, Tan, W, Lyu, J, Gao, S, Yan, J, Qi, J, Gao, G.F. | Deposit date: | 2016-08-11 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.206 Å) | Cite: | Structural basis of anti-PD-L1 monoclonal antibody avelumab for tumor therapy. Cell Res., 27, 2017
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6DPX
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DPZ
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DPT
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6DPY
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6E83
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8ILE
| The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILD
| The crystal structure of native dGTP:DNApre-I:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*AP*GP*GP*AP*TP*CP*CP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Qin, T, Chen, Y.Q, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILI
| The crystal structure of dG(Se-Rp)-DNA:Pol X product binary complex | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*(7S8))-3'), MAGNESIUM ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILH
| The crystal structure of dG(Se-Sp)-DNA:Pol X product binary complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE, DNA (5'-D(*CP*GP*GP*AP*TP*CP*C)-3'), MAGNESIUM ION, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILF
| The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8ILG
| The crystal structure of dG-DNA:Pol X product binary complex | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ... | Authors: | Qin, T, Gan, J.H, Huang, Z. | Deposit date: | 2023-03-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom. Int J Mol Sci, 24, 2023
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8DIB
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8DII
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8DIH
| Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | Descriptor: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | Authors: | Singh, I, Shoichet, B.K. | Deposit date: | 2022-06-29 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
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8DIE
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8DIF
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8DIG
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8DIC
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8DID
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5TRL
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5TRM
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