6XB3
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7RIL
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![BU of 7ril by Molmil](/molmil-images/mine/7ril) | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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5N4T
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![BU of 5n4t by Molmil](/molmil-images/mine/5n4t) | VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4) | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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8U48
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![BU of 8u48 by Molmil](/molmil-images/mine/8u48) | Crystal structure of Bacteroides thetaiotamicron BT1285 D161A-E163A inactive Endoglycosidase in complex with high-mannose N-glycan (Man9GlcNAc2) substrate | Descriptor: | Endo-beta-N-acetylglucosaminidase, PHOSPHATE ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sastre, D.E, Sultana, N, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-09 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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7RCB
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![BU of 7rcb by Molmil](/molmil-images/mine/7rcb) | Crystal Structure of a PMS2 VUS | Descriptor: | Mismatch repair endonuclease PMS2 | Authors: | D'Arcy, B.M, Prakash, A. | Deposit date: | 2021-07-07 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PMS2 variant results in loss of ATPase activity without compromising mismatch repair. Mol Genet Genomic Med, 10, 2022
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6ZE9
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6Z18
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![BU of 6z18 by Molmil](/molmil-images/mine/6z18) | Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; R32 form | Descriptor: | RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG | Authors: | Ruszkowski, M, Sekula, B, Mao, S, Haruehanroengra, P, Sheng, J. | Deposit date: | 2020-05-12 | Release date: | 2020-09-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA. Nucleic Acids Res., 48, 2020
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7OUB
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6ZGF
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![BU of 6zgf by Molmil](/molmil-images/mine/6zgf) | Spike Protein of RaTG13 Bat Coronavirus in Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-06-18 | Release date: | 2020-07-01 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | SARS-CoV-2 and bat RaTG13 spike glycoprotein structures inform on virus evolution and furin-cleavage effects. Nat.Struct.Mol.Biol., 27, 2020
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8G3V
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6XUB
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![BU of 6xub by Molmil](/molmil-images/mine/6xub) | Structure of coproheme decarboxylase from Corynebacterium diphteriae in complex with monovinyl monopropionyl deuteroheme | Descriptor: | Chlorite dismutase, harderoheme (III) | Authors: | Michlits, H, Lier, B, Pfanzagl, V, Djinovic-Carugo, K, Furtmueller, P.G, Oostenbrink, C, Obinger, C, Hofbauer, S. | Deposit date: | 2020-01-17 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Actinobacterial Coproheme Decarboxylases Use Histidine as a Distal Base to Promote Compound I Formation. Acs Catalysis, 10, 2020
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6XUT
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![BU of 6xut by Molmil](/molmil-images/mine/6xut) | Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B. | Deposit date: | 2020-01-21 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose. Biotechnol Biofuels, 14, 2021
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6Z32
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![BU of 6z32 by Molmil](/molmil-images/mine/6z32) | Human cation-independent mannose 6-phosphate/IGF2 receptor domains 7-11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, SULFATE ION, ... | Authors: | Bochel, A.J, Williams, C, McCoy, A.J, Hoppe, H, Winter, A.J, Nicholls, R.D, Harlos, K, Jones, Y.E, Berger, I, Hassan, B, Crump, M.P. | Deposit date: | 2020-05-19 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9. Structure, 28, 2020
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5NC5
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6PV4
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![BU of 6pv4 by Molmil](/molmil-images/mine/6pv4) | Structure of CpGH84A | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-07-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens. Glycobiology, 30, 2019
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5N8L
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6PZ8
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![BU of 6pz8 by Molmil](/molmil-images/mine/6pz8) | MERS S0 trimer in complex with variable domain of antibody G2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G2 heavy chain, ... | Authors: | Bowman, C.A, Pallesen, J, Ward, A.B. | Deposit date: | 2019-07-31 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD. Cell Rep, 28, 2019
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7RCH
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![BU of 7rch by Molmil](/molmil-images/mine/7rch) | Crystal structure of NS1-ED of Vietnam influenza A virus in complex with the p85-beta-iSH2 domain of human PI3K | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Kim, I, Zhao, B, Li, P, Cho, J.H. | Deposit date: | 2021-07-07 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Energy landscape reshaped by strain-specific mutations underlies epistasis in NS1 evolution of influenza A virus. Nat Commun, 13, 2022
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7AUA
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![BU of 7aua by Molmil](/molmil-images/mine/7aua) | Cryo-EM structure of human exostosin-like 3 (EXTL3) in complex with UDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ... | Authors: | Wilson, L.F.L, Dendooven, T, Hardwick, S.W, Chirgadze, D.Y, Luisi, B.F, Logan, D.T, Mani, K, Dupree, P. | Deposit date: | 2020-11-02 | Release date: | 2022-05-18 | Last modified: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | The structure of EXTL3 helps to explain the different roles of bi-domain exostosins in heparan sulfate synthesis. Nat Commun, 13, 2022
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7AU2
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![BU of 7au2 by Molmil](/molmil-images/mine/7au2) | Cryo-EM structure of human exostosin-like 3 (EXTL3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Wilson, L.F.L, Dendooven, T, Hardwick, S.W, Chirgadze, D.Y, Luisi, B.F, Logan, D.T, Mani, K, Dupree, P. | Deposit date: | 2020-11-02 | Release date: | 2022-05-18 | Last modified: | 2022-06-15 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | The structure of EXTL3 helps to explain the different roles of bi-domain exostosins in heparan sulfate synthesis. Nat Commun, 13, 2022
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6OA7
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![BU of 6oa7 by Molmil](/molmil-images/mine/6oa7) | Horse liver L57F alcohol dehydrogenase E complexed with NAD and trifluoroethanol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V. | Deposit date: | 2019-03-15 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer. Biochemistry, 59, 2020
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7RE9
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![BU of 7re9 by Molmil](/molmil-images/mine/7re9) | TCR mimic antibody (Fab fragment) | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain | Authors: | Dasgupta, M, Baker, B.M. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma. Sci Rep, 12, 2022
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8G74
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![BU of 8g74 by Molmil](/molmil-images/mine/8g74) | SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ... | Authors: | Ye, G, Bu, F, Liu, B, Li, F. | Deposit date: | 2023-02-16 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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6O91
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![BU of 6o91 by Molmil](/molmil-images/mine/6o91) | Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2019-03-12 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer. Biochemistry, 59, 2020
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7RE8
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![BU of 7re8 by Molmil](/molmil-images/mine/7re8) | |