6E7H
 
 | |
6B41
 | | Menin bound to M-525 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-09-25 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6EXE
 | |
6EXC
 | |
6EXA
 | |
6EXD
 | |
6C7Q
 | | BRD4 BD2 in complex with compound CE277 | | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methyl-1H-indazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
|
|
6EXB
 | |
7UMG
 | | Crystal structure of human CD8aa-MR1-Ac-6-FP complex | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Awad, W, Rossjohn, J. | | Deposit date: | 2022-04-06 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells.
J.Exp.Med., 219, 2022
|
|
6ISU
 | | Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3 | | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | | Authors: | Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D. | | Deposit date: | 2018-11-19 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
4LCW
 | | The structure of human MAIT TCR in complex with MR1-K43A-RL-6-Me-7OH | | Descriptor: | 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Patel, O, Rossjohn, J. | | Deposit date: | 2013-06-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Antigen-loaded MR1 tetramers define T cell receptor heterogeneity in mucosal-associated invariant T cells.
J.Exp.Med., 210, 2013
|
|
6C7R
 | | BRD4 BD1 in complex with compound CF53 | | Descriptor: | Bromodomain-containing protein 4, N-(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-01-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
J. Med. Chem., 61, 2018
|
|
8SQR
 | |
5E9E
 | |
4GIW
 | |
8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
|
|
6ARX
 | | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | | Deposit date: | 2017-08-23 | | Release date: | 2018-01-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
|
|
6ARY
 | | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor | | Descriptor: | (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R. | | Deposit date: | 2017-08-23 | | Release date: | 2018-01-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.257 Å) | | Cite: | Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
|
|
6KVA
 | | Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope | | Descriptor: | 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ... | | Authors: | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
|
|
6KVF
 | | Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope | | Descriptor: | Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain | | Authors: | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | Deposit date: | 2019-09-04 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
|
|
6LH8
 | | Structure of aerolysin-like protein (Bombina maxima) | | Descriptor: | aerolysin-like protein | | Authors: | Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y. | | Deposit date: | 2019-12-07 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
|
|
6LHZ
 | | Structure of aerolysin-like protein (Bombina maxima) | | Descriptor: | aerolysin-like protein | | Authors: | Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y. | | Deposit date: | 2019-12-10 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
|
|
6LB9
 | | Magnesium ion-bound SspB crystal structure | | Descriptor: | DUF4007 domain-containing protein, MAGNESIUM ION | | Authors: | Liqiong, L, Yubing, Z. | | Deposit date: | 2019-11-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.227 Å) | | Cite: | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
|
|
6IFZ
 | | Type III-A Csm complex, Cryo-EM structure of Csm-CTR2-ssDNA complex | | Descriptor: | CTR2, Type III-A CRISPR-associated RAMP protein Csm3, Type III-A CRISPR-associated RAMP protein Csm4, ... | | Authors: | You, L, Ma, J, Wang, J, Zhang, X, Wang, Y. | | Deposit date: | 2018-09-21 | | Release date: | 2018-12-12 | | Last modified: | 2019-01-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structure Studies of the CRISPR-Csm Complex Reveal Mechanism of Co-transcriptional Interference
Cell, 176, 2019
|
|
