7JWF
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![BU of 7jwf by Molmil](/molmil-images/mine/7jwf) | Crystal structure of PdGH110B D344N in complex with alpha-(1,3)-galactobiose | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Hettle, A.G, Boraston, A.B. | Deposit date: | 2020-08-25 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens. J.Biol.Chem., 295, 2020
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7K1S
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![BU of 7k1s by Molmil](/molmil-images/mine/7k1s) | The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Oliver, S.L. | Deposit date: | 2020-09-08 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion. Plos Pathog., 17, 2021
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5K1L
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3OKW
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![BU of 3okw by Molmil](/molmil-images/mine/3okw) | Mouse Semaphorin 6A, extracellular domains 1-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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5K3V
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![BU of 5k3v by Molmil](/molmil-images/mine/5k3v) | apo-PDX1.3 (Arabidopsis) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Fitzpatrick, T.B. | Deposit date: | 2016-05-20 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural definition of the lysine swing in Arabidopsis thaliana PDX1: Intermediate channeling facilitating vitamin B6 biosynthesis. Proc.Natl.Acad.Sci.USA, 113, 2016
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7RTA
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![BU of 7rta by Molmil](/molmil-images/mine/7rta) | Crystal structures of human PYY and NPY | Descriptor: | 4A3B2-B Fab heavy chain, 4A3B2-B Fab light chain, Neuropeptide Y, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2021-08-12 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of human neuropeptide Y (NPY) and peptide YY (PYY). Neuropeptides, 92, 2022
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6C9O
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8ABS
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![BU of 8abs by Molmil](/molmil-images/mine/8abs) | Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | Descriptor: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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8ABR
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![BU of 8abr by Molmil](/molmil-images/mine/8abr) | Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | Descriptor: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | Authors: | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | Deposit date: | 2022-07-04 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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6MTP
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![BU of 6mtp by Molmil](/molmil-images/mine/6mtp) | Crystal structure of VRC42.04 Fab in complex with gp41 peptide | Descriptor: | Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.036 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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8QMF
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![BU of 8qmf by Molmil](/molmil-images/mine/8qmf) | Transketolase from Vibrio vulnificus in complex with thiamin pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Ballut, L, Georges, R.N, Octobre, G, Charmantray, F, Doumeche, B. | Deposit date: | 2023-09-22 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determination and kinetic analysis of the transketolase from Vibrio vulnificus reveal unexpected cooperative behavior. Protein Sci., 33, 2024
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8QVC
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![BU of 8qvc by Molmil](/molmil-images/mine/8qvc) | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol | Descriptor: | CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | Deposit date: | 2023-10-17 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
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8QVE
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![BU of 8qve by Molmil](/molmil-images/mine/8qve) | C-glucosyl oxidoreductase (DaCGO1) from Deinococcus aerius | Descriptor: | ACETATE ION, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | Deposit date: | 2023-10-17 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
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8OIF
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![BU of 8oif by Molmil](/molmil-images/mine/8oif) | Structure of the UBE1L activating enzyme bound to ISG15 and UBE2L6 | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | Authors: | Wallace, I, Kheewoong, B, Prabu, J.R, Vollrath, R, von Gronau, S, Schulman, B.A, Swatek, K.N. | Deposit date: | 2023-03-22 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Insights into the ISG15 transfer cascade by the UBE1L activating enzyme. Nat Commun, 14, 2023
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6VKC
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![BU of 6vkc by Molmil](/molmil-images/mine/6vkc) | Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein | Descriptor: | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | McLellan, J.S. | Deposit date: | 2020-01-20 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus. J.Med.Chem., 63, 2020
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6TOM
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![BU of 6tom by Molmil](/molmil-images/mine/6tom) | Crystal structure of human BCL6 BTB domain in complex with compound 1 | Descriptor: | 1,2-ETHANEDIOL, 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, B-cell lymphoma 6 protein | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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6TP4
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![BU of 6tp4 by Molmil](/molmil-images/mine/6tp4) | Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6FQM
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![BU of 6fqm by Molmil](/molmil-images/mine/6fqm) | 3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA | Descriptor: | 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | Deposit date: | 2018-02-14 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance. Nucleic Acids Res., 46, 2018
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3OHX
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6R9R
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![BU of 6r9r by Molmil](/molmil-images/mine/6r9r) | Crystal structure of Csx1 in complex with cyclic oligoadenylate cOA4 conformation 2 | Descriptor: | CRISPR-associated (Cas) DxTHG family, circular RNA (5'-R(P*AP*AP*AP*A)-3') | Authors: | Molina, R, Montoya, G, Sofos, N, Stella, S. | Deposit date: | 2019-04-03 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Csx1-cOA4complex reveals the basis of RNA decay in Type III-B CRISPR-Cas. Nat Commun, 10, 2019
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5Z1P
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6TP6
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![BU of 6tp6 by Molmil](/molmil-images/mine/6tp6) | Crystal structure of the Orexin-1 receptor in complex with filorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6BWC
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![BU of 6bwc by Molmil](/molmil-images/mine/6bwc) | X-ray structure of Pen from Bacillus thuringiensis | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Polysaccharide biosynthesis protein CapD, SULFATE ION, ... | Authors: | Delvaux, N.A, Thoden, J.B, Holden, H.M. | Deposit date: | 2017-12-14 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular architectures of Pen and Pal: Key enzymes required for CMP-pseudaminic acid biosynthesis in Bacillus thuringiensis. Protein Sci., 27, 2018
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8DVH
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![BU of 8dvh by Molmil](/molmil-images/mine/8dvh) | Crystal structure of ATP-dependent Lon protease from Bacillus subtillis (BsLonBA) | Descriptor: | Lon protease 2, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, SODIUM ION | Authors: | Sekula, B, Li, M, Gustchina, A, Wlodawer, A. | Deposit date: | 2022-07-29 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unique Structural Fold of LonBA Protease from Bacillus subtilis, a Member of a Newly Identified Subfamily of Lon Proteases. Int J Mol Sci, 23, 2022
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8QPP
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![BU of 8qpp by Molmil](/molmil-images/mine/8qpp) | Bacillus subtilis MutS2-collided disome complex (stalled 70S) | Descriptor: | 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R. | Deposit date: | 2023-10-02 | Release date: | 2023-12-27 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage. Embo J., 43, 2024
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