8EN1
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![BU of 8en1 by Molmil](/molmil-images/mine/8en1) | Structure of GII.4 norovirus in complex with Nanobody 30 | Descriptor: | GII.4 P domain, Nanobody 30 | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | Deposit date: | 2022-09-28 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies. J.Virol., 97, 2023
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1GMH
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![BU of 1gmh by Molmil](/molmil-images/mine/1gmh) | |
8EMY
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![BU of 8emy by Molmil](/molmil-images/mine/8emy) | Structure of GII.4 norovirus in complex with Nanobody 82 | Descriptor: | 1,2-ETHANEDIOL, GII.4 P domain, Nanobody 82 | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | Deposit date: | 2022-09-28 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies. J.Virol., 97, 2023
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8EN2
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![BU of 8en2 by Molmil](/molmil-images/mine/8en2) | Structure of GII.10 norovirus in complex with Nanobody 34 | Descriptor: | 1,2-ETHANEDIOL, GII.10 P domain, Nanobody 34 | Authors: | Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G. | Deposit date: | 2022-09-28 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies. J.Virol., 97, 2023
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8EN3
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![BU of 8en3 by Molmil](/molmil-images/mine/8en3) | Structure of GII.17 norovirus in complex with Nanobody 45 | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody 45 | Authors: | Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G. | Deposit date: | 2022-09-28 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies. J.Virol., 97, 2023
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8EUA
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![BU of 8eua by Molmil](/molmil-images/mine/8eua) | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | Deposit date: | 2022-10-18 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
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1D7R
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![BU of 1d7r by Molmil](/molmil-images/mine/1d7r) | CRYSTAL STRUCTURE OF THE COMPLEX OF 2,2-DIALKYLGLYCINE DECARBOXYLASE WITH 5PA | Descriptor: | N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID, POTASSIUM ION, PROTEIN (2,2-DIALKYLGLYCINE DECARBOXYLASE (PYRUVATE)), ... | Authors: | Malashkevich, V.N, Toney, M.D, Strop, P, Keller, J, Jansonius, J.N. | Deposit date: | 1999-10-19 | Release date: | 1999-11-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of dialkylglycine decarboxylase inhibitor complexes. J.Mol.Biol., 294, 1999
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3DML
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![BU of 3dml by Molmil](/molmil-images/mine/3dml) | |
8IJR
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![BU of 8ijr by Molmil](/molmil-images/mine/8ijr) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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1NU9
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![BU of 1nu9 by Molmil](/molmil-images/mine/1nu9) | Staphylocoagulase-Prethrombin-2 complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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1NWA
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![BU of 1nwa by Molmil](/molmil-images/mine/1nwa) | Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine | Descriptor: | Peptide methionine sulfoxide reductase msrA | Authors: | Taylor, A.B, Benglis Jr, D.M, Dhandayuthapani, S, Hart, P.J, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-02-05 | Release date: | 2003-07-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine J.Bacteriol., 185, 2003
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1K19
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![BU of 1k19 by Molmil](/molmil-images/mine/1k19) | NMR Solution Structure of the Chemosensory Protein CSP2 from Moth Mamestra brassicae | Descriptor: | Chemosensory Protein CSP2 | Authors: | Mosbah, A, Campanacci, V, Lartigue, A, Tegoni, M, Cambillau, C, Darbon, H. | Deposit date: | 2001-09-24 | Release date: | 2002-12-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of a chemosensory protein from the moth Mamestra brassicae BIOCHEM.J., 369, 2003
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6FMI
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![BU of 6fmi by Molmil](/molmil-images/mine/6fmi) | pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-oxopropan-2-yl)acetamide (ligand 2) | Descriptor: | Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ... | Authors: | Soares, P, Lucas, X, Ciulli, A. | Deposit date: | 2018-01-31 | Release date: | 2018-04-11 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands. Bioorg. Med. Chem., 26, 2018
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6G10
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1QPW
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![BU of 1qpw by Molmil](/molmil-images/mine/1qpw) | CRYSTAL STRUCTURE DETERMINATION OF PORCINE HEMOGLOBIN AT 1.8A RESOLUTION | Descriptor: | OXYGEN MOLECULE, PORCINE HEMOGLOBIN (ALPHA SUBUNIT), PORCINE HEMOGLOBIN (BETA SUBUNIT), ... | Authors: | Lu, T.-H, Panneerselvam, K, Liaw, Y.-C, Kan, P, Lee, C.-J. | Deposit date: | 1999-05-30 | Release date: | 1999-06-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure determination of porcine haemoglobin. Acta Crystallogr.,Sect.D, 56, 2000
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5ONI
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![BU of 5oni by Molmil](/molmil-images/mine/5oni) | LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | Descriptor: | 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | Deposit date: | 2017-08-03 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '. Pharmaceuticals (Basel), 10, 2017
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5NFS
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![BU of 5nfs by Molmil](/molmil-images/mine/5nfs) | |
7MEM
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![BU of 7mem by Molmil](/molmil-images/mine/7mem) | |
1NU7
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![BU of 1nu7 by Molmil](/molmil-images/mine/1nu7) | Staphylocoagulase-Thrombin Complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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3IGA
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![BU of 3iga by Molmil](/molmil-images/mine/3iga) | Potassium Channel KcsA-Fab complex in Li+ and K+ | Descriptor: | Antibody Fab Fragment heavy chain, Antibody Fab fragment light chain, DIACYL GLYCEROL, ... | Authors: | Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M. | Deposit date: | 2009-07-27 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore. Nat.Struct.Mol.Biol., 16, 2009
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1TLX
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![BU of 1tlx by Molmil](/molmil-images/mine/1tlx) | THERMOLYSIN (NATIVE) | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ... | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | Deposit date: | 1998-11-02 | Release date: | 2000-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol. Proteins, 37, 1999
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6HDX
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![BU of 6hdx by Molmil](/molmil-images/mine/6hdx) | Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with R3-HIB-AMP | Descriptor: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, 2-hydroxyisobutyryl-CoA synthetase, [[(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})-2-methyl-3-oxidanyl-propanoate | Authors: | Zahn, M, Rohwerder, T, Strater, N. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle. J.Mol.Biol., 431, 2019
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3I6N
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![BU of 3i6n by Molmil](/molmil-images/mine/3i6n) | Mode of Binding of the Tuberculosis Prodrug Isoniazid to Peroxidases: Crystal Structure of Bovine Lactoperoxidase with Isoniazid at 2.7 Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIAZENYLCARBONYL)PYRIDINE, CALCIUM ION, ... | Authors: | Singh, A.K, Kumar, R.P, Pandey, N, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2009-07-07 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution. J.Biol.Chem., 285, 2010
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1JMS
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![BU of 1jms by Molmil](/molmil-images/mine/1jms) | Crystal Structure of the Catalytic Core of Murine Terminal Deoxynucleotidyl Transferase | Descriptor: | MAGNESIUM ION, SODIUM ION, TERMINAL DEOXYNUCLEOTIDYLTRANSFERASE | Authors: | Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Sukumar, N, Jourdan, N, Rougeon, F, Papanicolaou, C. | Deposit date: | 2001-07-19 | Release date: | 2002-01-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase. Embo J., 21, 2002
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2FDA
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![BU of 2fda by Molmil](/molmil-images/mine/2fda) | Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand | Descriptor: | BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ... | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-12-13 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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