8V6S
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![BU of 8v6s by Molmil](/molmil-images/mine/8v6s) | Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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9ASZ
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![BU of 9asz by Molmil](/molmil-images/mine/9asz) | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor | Descriptor: | (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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8UZM
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![BU of 8uzm by Molmil](/molmil-images/mine/8uzm) | |
8V6T
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![BU of 8v6t by Molmil](/molmil-images/mine/8v6t) | Crystal structure of EcThsB2 | Descriptor: | BROMIDE ION, Molecular chaperone Tir | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8U0K
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![BU of 8u0k by Molmil](/molmil-images/mine/8u0k) | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | Deposit date: | 2023-08-29 | Release date: | 2024-02-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity. Proteins, 92, 2024
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9EWN
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![BU of 9ewn by Molmil](/molmil-images/mine/9ewn) | Mpro from SARS-CoV-2 with 4Q mutation | Descriptor: | Non-structural protein 11 | Authors: | Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K. | Deposit date: | 2024-04-04 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | SARS-CoV-2 M pro oligomerization as a potential target for therapy. Int.J.Biol.Macromol., 267, 2024
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8UI6
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![BU of 8ui6 by Molmil](/molmil-images/mine/8ui6) | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl transferase, MANGANESE (II) ION, ... | Authors: | Kumar, P, Samara, N.L. | Deposit date: | 2023-10-10 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Nat Commun, 15, 2024
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8W9J
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![BU of 8w9j by Molmil](/molmil-images/mine/8w9j) | Crystal structure of human CLEC12A ectodomain complexed with 50C1 Fab | Descriptor: | Anti-human CLEC12A antibody 50C1 heavy chain, Anti-human CLEC12A antibody 50C1 light chain, C-type lectin domain family 12 member A | Authors: | Mori, S, Nagae, M, Yamasaki, S. | Deposit date: | 2023-09-05 | Release date: | 2024-03-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands. Int.Immunol., 36, 2024
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8V6R
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![BU of 8v6r by Molmil](/molmil-images/mine/8v6r) | Crystal structure of EcThsA in complex with ADPR | Descriptor: | Thoeris protein ThsA Macro domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | Deposit date: | 2023-12-02 | Release date: | 2024-06-12 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
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8XOV
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![BU of 8xov by Molmil](/molmil-images/mine/8xov) | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | Deposit date: | 2024-01-02 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus. To Be Published
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8X0J
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![BU of 8x0j by Molmil](/molmil-images/mine/8x0j) | old yellow enzymes-Q102A/Y169F/R215A/R308A | Descriptor: | NADPH dehydrogenase, PHOSPHATE ION | Authors: | Lei, W, Wei, S. | Deposit date: | 2023-11-04 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Unlocking the function promiscuity of old yellow enzyme to catalyze asymmetric Morita-Baylis-Hillman reaction To Be Published
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8WBL
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![BU of 8wbl by Molmil](/molmil-images/mine/8wbl) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] complexed with sulfate ions | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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9C0O
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/9fwg) | LSD1/CoREST bound to bomedemstat | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Speranzini, V, Mattevi, A. | Deposit date: | 2024-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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8WBM
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![BU of 8wbm by Molmil](/molmil-images/mine/8wbm) | Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193A complexed with sulfate ions | Descriptor: | Epoxide hydrolase, SULFATE ION | Authors: | Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q. | Deposit date: | 2023-09-10 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid. J.Biol.Chem., 300, 2024
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8V9H
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![BU of 8v9h by Molmil](/molmil-images/mine/8v9h) | GES-5-NA-1-157 complex | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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9AT5
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![BU of 9at5 by Molmil](/molmil-images/mine/9at5) | Crystal structure of SARS-CoV-2 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 2024
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8UZI
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![BU of 8uzi by Molmil](/molmil-images/mine/8uzi) | |
8ZH5
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![BU of 8zh5 by Molmil](/molmil-images/mine/8zh5) | |
8XQK
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![BU of 8xqk by Molmil](/molmil-images/mine/8xqk) | The Crystal Structure of Apaf from Biortus. | Descriptor: | Apoptotic protease-activating factor 1, PHOSPHATE ION | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C. | Deposit date: | 2024-01-05 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Crystal Structure of Apaf from Biortus. To Be Published
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8V2Y
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![BU of 8v2y by Molmil](/molmil-images/mine/8v2y) | Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | Deposit date: | 2023-11-24 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
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8VRR
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![BU of 8vrr by Molmil](/molmil-images/mine/8vrr) | 4H11-scFv antibody | Descriptor: | 4H11 scFv chain | Authors: | Lee, K, Perry, K, Yeku, O.O, Spriggs, D.R. | Deposit date: | 2024-01-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for antibody recognition of the proximal MUC16 ectodomain. J Ovarian Res, 17, 2024
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8V14
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8YHP
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![BU of 8yhp by Molmil](/molmil-images/mine/8yhp) | Structure of the PGK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Phosphoglycerate kinase 1 | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | Deposit date: | 2024-02-28 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the PGK1 from Biortus. To Be Published
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8Y6C
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![BU of 8y6c by Molmil](/molmil-images/mine/8y6c) | Norovirus GII.10 P domain and 2'-FL (powder) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GII.10 norovirus P domain in complex with 2'FL (powder), ... | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | Deposit date: | 2024-02-02 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Norovirus GII.10 P domain and 2'-FL (powder) To Be Published
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