5CA9
 
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5CA8
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8WR2
 | | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Fan, J, Zhu, Y. | | Deposit date: | 2023-10-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
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5N21
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1Z
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1X
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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4M5E
 | | Tse3 structure | | Descriptor: | CADMIUM ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Qian, Y. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4M5F
 | | complex structure of Tse3-Tsi3 | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Uncharacterized protein | | Authors: | Gu, L.C. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4N88
 | | Crystal structure of Tse3-Tsi3 complex with calcium ion | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4N7S
 | | Crystal structure of Tse3-Tsi3 complex with Zinc ion | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4N80
 | | Crystal structure of Tse3-Tsi3 complex | | Descriptor: | CALCIUM ION, Uncharacterized protein, ZINC ION | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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8JNK
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8JNR
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8JKK
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6J72
 | | Crystal structure of IniA from Mycobacterium smegmatis with GTP bound | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ... | | Authors: | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
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6J73
 | | Crystal structure of IniA from Mycobacterium smegmatis | | Descriptor: | Isoniazid inducible gene protein IniA | | Authors: | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.211 Å) | | Cite: | Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
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6LKA
 | | Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds | | Descriptor: | 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide | | Authors: | Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H. | | Deposit date: | 2019-12-18 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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8EXP
 | | Cryo-EM structure of S. aureus BlaR1 with C2 symmetry | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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8EXR
 | | Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ... | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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8EXQ
 | | Cryo-EM structure of S. aureus BlaR1 with C1 symmetry | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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4DQN
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4EQ8
 | | Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1 | | Descriptor: | GLYCEROL, Putative uncharacterized protein | | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | | Deposit date: | 2012-04-18 | | Release date: | 2012-09-12 | | Last modified: | 2013-07-24 | | Method: | X-RAY DIFFRACTION (1.392 Å) | | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
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5HPK
 | | System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1 | | Descriptor: | E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1 | | Authors: | Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.431 Å) | | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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