6PJM
| HIV-1 Protease NL4-3 WT in Complex with LR2-35 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PF6
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, Thymidylate synthase,Thymidylate synthase | Authors: | Czyzyk, D.L, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6JIB
| Human MTHFD2 in complex with DS44960156 | Descriptor: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Suzuki, M, Matsui, Y, Kawai, J. | Deposit date: | 2019-02-20 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. Acs Med.Chem.Lett., 10, 2019
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4P56
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE | Descriptor: | (R)-MANDELIC ACID, (S)-MANDELIC ACID, Putative extracellular solute-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-14 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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1AVR
| CRYSTAL AND MOLECULAR STRUCTURE OF HUMAN ANNEXIN V AFTER REFINEMENT. IMPLICATIONS FOR STRUCTURE, MEMBRANE BINDING AND ION CHANNEL FORMATION OF THE ANNEXIN FAMILY OF PROTEINS | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | Authors: | Huber, R, Berendes, R, Burger, A, Schneider, M, Karshikov, A, Luecke, H, Roemisch, J, Paques, E. | Deposit date: | 1991-10-17 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal and molecular structure of human annexin V after refinement. Implications for structure, membrane binding and ion channel formation of the annexin family of proteins. J.Mol.Biol., 223, 1992
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6PFG
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid. | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.706 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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8PUZ
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7OA4
| Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, FORMIC ACID, MANGANESE (II) ION, ... | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | Deposit date: | 2021-04-19 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001 To Be Published
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4MMR
| Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 9.5 | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | Authors: | Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | Deposit date: | 2013-09-09 | Release date: | 2013-11-20 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus. Science, 342, 2013
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7THH
| SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | Authors: | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-01-11 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein to be published
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6N50
| Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K. | Deposit date: | 2018-11-20 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.751 Å) | Cite: | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
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6F66
| Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with 2,4-Dihydroxybenzophenone | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Schwartz, M, Favier, F, Didierjean, C. | Deposit date: | 2017-12-05 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor. Sci Rep, 8, 2018
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7TG5
| Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK in the Presence of Fe Ion from Yersinia pestis | Descriptor: | CHLORIDE ION, FE (III) ION, Pirin family protein | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-01-07 | Release date: | 2022-01-19 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal Structure of the Pirin Family Protein Redox-sensitive Bicupin YhaK in the presence of Fe ion from Yersinia pestis To Be Published
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7TH8
| Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds | Descriptor: | Nodule cysteine-rich protein 13 | Authors: | Buchko, G.W, Zhou, M, Shah, D.M, Velivelli, S.L.S. | Deposit date: | 2022-01-10 | Release date: | 2022-02-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds To Be Published
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6VQQ
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1R53
| Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae | Descriptor: | Chorismate synthase | Authors: | Quevillon-Cheruel, S, Leulliot, N, Meyer, P, Graille, M, Bremang, M, Blondeau, K, Sorel, I, Poupon, A, Janin, J, van Tilbeurgh, H. | Deposit date: | 2003-10-09 | Release date: | 2003-12-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae J.Biol.Chem., 279, 2004
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1YM2
| Crystal structure of human beta secretase complexed with NVP-AUR200 | Descriptor: | Beta-secretase 1, NVP-AUR200 INHIBITOR | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | Deposit date: | 2005-01-20 | Release date: | 2006-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics J.Med.Chem., 48, 2005
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6VLD
| Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 bound to GDP and A2SGP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, ASPARAGINE, Alpha-(1,6)-fucosyltransferase, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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5JAI
| Yersinia pestis FabV variant T276G | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-12 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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7JMW
| Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-08-03 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity. Immunity, 53, 2020
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6VMZ
| Crystal Structure of a H5N1 influenza virus hemagglutinin with CBS1117 | Descriptor: | 2,6-dichloro-N-[1-(propan-2-yl)piperidin-4-yl]benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | Deposit date: | 2020-01-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of avian influenza hemagglutinin in complex with a small molecule entry inhibitor. Life Sci Alliance, 3, 2020
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7TMU
| Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, Y, Chhor, G, Endres, M, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-01-20 | Release date: | 2022-02-02 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of the Protein of Unknown Function YPO0625 from Yersinia pestis To Be Published
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8PV0
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6HU0
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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7TLY
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