5OEW
 
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538 | | Descriptor: | 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Larsen, A.P, Frydenvang, K.A, Kastrup, J.S. | | Deposit date: | 2017-07-10 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
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5NZO
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 1-methyl-3-phenyl-1H-pyrazol-5-amine | | Descriptor: | 2-methyl-5-phenyl-pyrazol-3-amine, D-3-phosphoglycerate dehydrogenase | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-05-14 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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2NQG
 | | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
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6CIV
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5OHQ
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2JSJ
 | | Obestatin in water solution | | Descriptor: | Appetite-regulating hormone, Obestatin | | Authors: | D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P. | | Deposit date: | 2007-07-05 | | Release date: | 2008-10-21 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Obestatin conformational features: a strategy to unveil obestatin's biological role?
Biochem.Biophys.Res.Commun., 363, 2007
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6BNX
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) | | Descriptor: | COBALT (II) ION, Lactoylglutathione lyase | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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5OFW
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide | | Descriptor: | 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase | | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | Deposit date: | 2017-07-11 | | Release date: | 2017-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
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2K0T
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-14 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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5OHO
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6CU0
 | | Crystal structure of 4-1BBL/4-1BB (C121S) complex in P21 space group | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor receptor superfamily member 9 | | Authors: | Aruna, B, Zajonc, D.M, Doukov, T. | | Deposit date: | 2018-03-23 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
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2KOL
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2LRX
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2LJT
 | | C9L,C14L-LeuA | | Descriptor: | Bacteriocin leucocin-A | | Authors: | Sit, C.S, Lohans, C.T, van Belkum, M.J, Campbell, C.D, Miskolzie, M, Vederas, J.C. | | Deposit date: | 2011-09-23 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Substitution of a Conserved Disulfide in the Type IIa Bacteriocin, Leucocin A, with L-Leucine and L-Serine Residues: Effects on Activity and Three-Dimensional Structure.
Chembiochem, 13, 2012
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2M41
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3QSB
 | | Structure of E. coli polIIIbeta with (Z)-5-(1-((4'-Fluorobiphenyl-4-yl)methoxyimino)butyl)-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile | | Descriptor: | (1R,5R)-5-{(1Z)-N-[(4'-fluorobiphenyl-4-yl)methoxy]butanimidoyl}-2,2-dimethyl-4,6-dioxocyclohexanecarbonitrile, DNA polymerase III subunit beta | | Authors: | Wijffels, G, Johnson, W.M, Oakley, A.J, Turner, K, Epa, V.C, Briscoe, S.J, Polley, M, Liepa, A.J, Hofmann, A, Buchardt, J, Christensen, C, Prosselkov, P, Dalrymple, B.P, Alewood, P.F, Jennings, P.A, Dixon, N.E, Winkler, D.A. | | Deposit date: | 2011-02-20 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding inhibitors of the bacterial sliding clamp by design
J.Med.Chem., 54, 2011
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2KDR
 | | Solution structure of HCV NS4B(227-254) | | Descriptor: | Non-structural protein 4B | | Authors: | Montserret, R, Penin, F. | | Deposit date: | 2009-01-15 | | Release date: | 2009-09-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An amphipathic alpha-helix at the C terminus of hepatitis C virus nonstructural protein 4B mediates membrane association
J.Virol., 83, 2009
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2KI5
 | | HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION | | Descriptor: | 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | | Authors: | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | | Deposit date: | 1999-02-12 | | Release date: | 1999-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
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2KJC
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3S45
 | | wild-type HIV-2 protease with antiviral drug amprenavir | | Descriptor: | CHLORIDE ION, IMIDAZOLE, Protease, ... | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-18 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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2LAU
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2LQR
 | | NMR structure of Ig3 domain of palladin | | Descriptor: | Palladin | | Authors: | Beck, M.R, Dixon IV, R.D.S, Otey, C.A, Campbell, S.L, Murphy, G.S. | | Deposit date: | 2012-03-13 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and Function of Palladin's Actin Binding Domain.
J.Mol.Biol., 425, 2013
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2LJQ
 | | (C9S, C14S)-leucocin A | | Descriptor: | Bacteriocin leucocin-A | | Authors: | Sit, C.S, Lohans, C.T, van Belkum, M.J, Campbell, C.D, Miskolzie, M, Vederas, J.C. | | Deposit date: | 2011-09-22 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Substitution of a Conserved Disulfide in the Type IIa Bacteriocin, Leucocin A, with L-Leucine and L-Serine Residues: Effects on Activity and Three-Dimensional Structure.
Chembiochem, 13, 2012
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2N55
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3NP1
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF NITROPHORIN 1 FROM RHODNIUS PROLIXUS WITH CYANIDE | | Descriptor: | CYANIDE ION, NITROPHORIN 1, PHOSPHATE ION, ... | | Authors: | Weichsel, A, Andersen, J.F, Champagne, D.E, Walker, F.A, Montfort, W.R. | | Deposit date: | 1998-01-22 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a nitric oxide transport protein from a blood-sucking insect.
Nat.Struct.Biol., 5, 1998
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