8V56
 
 | | UIC-1 mutant - UIC-1-B5W | | Descriptor: | UIC-1-B5W | | Authors: | Heinz-Kunert, S.L. | | Deposit date: | 2023-11-30 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
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8V52
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8V4X
 | | Structure of MALT1 in complex with an allosteric inhibitor | | Descriptor: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | | Authors: | Judge, R.A, Pappano, W.N. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma.
Mol.Cancer Ther., 23, 2024
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8V4U
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-15 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 67, 2024
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8V4R
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8V4Q
 | | Myxococcus xanthus EncA 3xHis pore mutant with tetrahedral symmetry | | Descriptor: | Type 1 encapsulin shell protein EncA | | Authors: | Szyszka, T.N, Andreas, M.P, Lie, F, Miller, L.M, Adamson, L.S.R, Fatehi, F, Twarock, R, Draper, B.E, Jarrold, M.F, Giessen, T.W, Lau, Y.H. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Point mutation in a virus-like capsid drives symmetry reduction to form tetrahedral cages.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8V4F
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8V43
 | | CryoEM Structure of Diffocin - postcontracted - Baseplate - final state | | Descriptor: | Sheath (CD1363), Sheath initiator (CD1370), TRI-1 (CD1372), ... | | Authors: | Cai, X.Y, He, Y, Zhou, Z.H. | | Deposit date: | 2023-11-28 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Atomic structures of a bacteriocin targeting Gram-positive bacteria.
Nat Commun, 15, 2024
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8V41
 | | CryoEM Structure of Diffocin - postcontracted - Baseplate - transitional state | | Descriptor: | Sheath (CD1363), Sheath initiator (CD1370), TRI-1 (CD1372), ... | | Authors: | Cai, X.Y, He, Y, Zhou, Z.H. | | Deposit date: | 2023-11-28 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Atomic structures of a bacteriocin targeting Gram-positive bacteria.
Nat Commun, 15, 2024
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8V40
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8V3Z
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8V3Y
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8V3X
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8V3W
 | | CryoEM Structure of Diffocin - precontracted - Baseplate - focused refinement on triplex region | | Descriptor: | Hub-Hydrolase (CD1368), Sheath (CD1363), Sheath initiator (CD1370), ... | | Authors: | Cai, X.Y, He, Y, Zhou, Z.H. | | Deposit date: | 2023-11-28 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Atomic structures of a bacteriocin targeting Gram-positive bacteria.
Nat Commun, 15, 2024
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8V3T
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8V3K
 | | F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | | Descriptor: | DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ... | | Authors: | Christianson, D.W, Eaton, S.A. | | Deposit date: | 2023-11-28 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
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8V3B
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8V37
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8V36
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8V35
 | | Crystal structure of HpsN from Cupriavidus pinatubonensis | | Descriptor: | 1,2-ETHANEDIOL, Sulfopropanediol 3-dehydrogenase, ZINC ION | | Authors: | Lee, M. | | Deposit date: | 2023-11-27 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Chem Sci, 15, 2024
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8V31
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8V2W
 | | Crystal Structure of the ancestral triosephosphate isomerase reconstruction of the last opisthokont common ancestor obtained by Bayesian inference | | Descriptor: | GLYCEROL, Triosephosphate isomerase | | Authors: | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra, Y, Fernandez-Velasco, D.A. | | Deposit date: | 2023-11-24 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
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8V2T
 | | Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591 | | Descriptor: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ... | | Authors: | Junop, M.S, Brown, C, Szabla, R. | | Deposit date: | 2023-11-23 | | Release date: | 2023-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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8V2K
 | | Proteus vulgaris tryptophan indole-lyase complexed with L-alanine | | Descriptor: | (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, DIMETHYL SULFOXIDE, ... | | Authors: | Phillips, R.S. | | Deposit date: | 2023-11-22 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Proteus vulgaris tryptophan indole-lyase complexed with L-alanine
To Be Published
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