7N44
 
 | | Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13) | | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Authors: | Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2021-06-03 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
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1N4B
 | | Solution Structure of the undecamer CGAAAC*TTTCG | | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*CP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*AP*D00*TP*TP*TP*CP*G)-3' | | Authors: | Webba da Silva, M, Noronha, A.M, Noll, D.M, Miller, P.S, Colvin, O.M, Gamcsik, M.P. | | Deposit date: | 2002-10-30 | | Release date: | 2003-11-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a DNA Duplex Containing
Mispair-Aligned N4C-Ethyl-N4C
Interstrand Cross-Linked Cytosines
Biochemistry, 41, 2002
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3DD5
 | | Glomerella cingulata E600-cutinase complex | | Descriptor: | Cutinase, DIETHYL PHOSPHONATE | | Authors: | Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J. | | Deposit date: | 2008-06-05 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
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8I4S
 | | the complex structure of SARS-CoV-2 Mpro with D8 | | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | | Authors: | Lu, M. | | Deposit date: | 2023-01-21 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
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1MU6
 | | Crystal Structure of Thrombin in Complex with L-378,622 | | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | Deposit date: | 2002-09-23 | | Release date: | 2004-04-06 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
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7NN9
 | | NATIVE INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | | Authors: | Varghese, J.N, Colman, P.M. | | Deposit date: | 1995-03-15 | | Release date: | 1996-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase.
Protein Sci., 4, 1995
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1MLJ
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6DHO
 | | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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5W6H
 | | Crystal structure of Bacteriophage CBA120 tailspike protein 4 enzymatically active domain (TSP4dN, orf213) | | Descriptor: | ACETATE ION, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Plattner, M, Shneider, M.M, Leiman, P.G. | | Deposit date: | 2017-06-16 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120.
J.Mol.Biol., 431, 2019
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8CAV
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ... | | Authors: | Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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1MLF
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1WBI
 | | AVR2 | | Descriptor: | AVIDIN-RELATED PROTEIN 2, BIOTIN, GLYCEROL, ... | | Authors: | Airenne, T.T, Hytonen, V.P, Maatta, J.H, Kidron, H, Halling, K.K, Horha, J, Kulomaa, T, Nyholm, T.K.M, Johnson, M.S, Salminen, T.A, Kulomaa, M.S. | | Deposit date: | 2004-11-01 | | Release date: | 2005-10-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Avidin Related Protein 2 Shows Unique Structural and Functional Features Among the Avidin Protein Family.
Bmc Biotechnol., 5, 2005
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1MLO
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1MLK
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8CAR
 | | Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL | | Descriptor: | NITRATE ION, PHOSPHATE ION, Serine/threonine protein kinase | | Authors: | Martins, B.M, Sigurdsson, A, Duettmann, A.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemander, M, Knittel, C.H, Schegotzki, R, Schmid, B, Kosol, S, Pommerening, L, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
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1MLL
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3CIQ
 | | A regulatable switch mediates self-association in an immunoglobulin fold | | Descriptor: | Beta-2-microglobulin, COPPER (II) ION, L(+)-TARTARIC ACID | | Authors: | Calabrese, M.F, Eakin, C.M, Wang, J.M, Miranker, A.D. | | Deposit date: | 2008-03-11 | | Release date: | 2008-09-02 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A regulatable switch mediates self-association in an immunoglobulin fold.
Nat.Struct.Mol.Biol., 15, 2008
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1MLG
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1MLS
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1MOA
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5W6P
 | | Crystal structure of Bacteriophage CBA120 tailspike protein 2 enzymatically active domain (TSP2dN, orf211) | | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, ZINC ION, ... | | Authors: | Plattner, M, Shneider, M.M, Leiman, P.G. | | Deposit date: | 2017-06-16 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.335 Å) | | Cite: | Structure and Function of the Branched Receptor-Binding Complex of Bacteriophage CBA120.
J.Mol.Biol., 431, 2019
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6XCB
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6DHG
 | | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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1VQD
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3VUA
 | | Apo IsdH-NEAT3 in space group P3121 at a resolution of 1.85 A | | Descriptor: | ACETATE ION, GLYCEROL, Iron-regulated surface determinant protein H, ... | | Authors: | Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K. | | Deposit date: | 2012-06-26 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin
To be Published
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