1O30
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
8HVW
| Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zou, X.F, Zhang, J, Li, J. | Deposit date: | 2022-12-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814. Mol Biomed, 4, 2023
|
|
1O37
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
7SWN
| G32A4 Fab in complex with SARS-CoV-2 Spike 6P (RBD local reconstruction) | Descriptor: | G32A4 Fab heavy chain, G32A4 Fab light chain, Spike protein S1 | Authors: | Windsor, I.W, Tong, P, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-11-20 | Release date: | 2022-04-27 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Antibodies induced by an ancestral SARS-CoV-2 strain that cross-neutralize variants from Alpha to Omicron BA.1. Sci Immunol, 7, 2022
|
|
1O3E
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
7T5A
| Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in tungstate-bound form | Descriptor: | AMMONIUM ION, Molybdate-binding periplasmic protein ModA, TUNGSTATE(VI)ION | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-11 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
|
|
1O3O
| Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-(TRIFLUOROMETHOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | Deposit date: | 2003-03-06 | Release date: | 2003-09-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors. J.Mol.Biol., 329, 2003
|
|
1OAU
| Fv Structure of the IgE SPE-7 in complex with DNP-Ser (immunising hapten) | Descriptor: | 2,4-DINITROPHENOL, IMIDAZOLE, IMMUNOGLOBULIN E, ... | Authors: | James, L.C, Roversi, P, Tawfik, D. | Deposit date: | 2003-01-21 | Release date: | 2004-01-15 | Last modified: | 2013-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antibody Multispecificity Mediated by Conformational Diversity Science, 299, 2003
|
|
8I8D
| Acyl-ACP synthetase structure bound to MC7-ACP | Descriptor: | 7-methoxy-7-oxidanylidene-heptanoic acid, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Acyl-ACP synthetase structure bound to MC7-ACP To Be Published
|
|
3DB6
| Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | Descriptor: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | Authors: | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | Deposit date: | 2008-05-30 | Release date: | 2008-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme. Acta Crystallogr.,Sect.F, 64, 2008
|
|
8I6Y
| Crystal structure of Arabidopsis thaliana LOX1 | Descriptor: | FE (III) ION, Linoleate 9S-lipoxygenase 1 | Authors: | Liu, X, Liu, L. | Deposit date: | 2023-01-30 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | UV-B light signal mediates stomatal closure by activating the 9-lipoxygenase pathway To Be Published
|
|
3DBE
| |
8I8E
| Acyl-ACP synthetase structure bound to C18:1-ACP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Acyl carrier protein, ... | Authors: | Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y. | Deposit date: | 2023-02-04 | Release date: | 2024-02-07 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Acyl-ACP synthetase structure bound to C18:1-ACP To Be Published
|
|
7TAN
| Structure of VRK1 C-terminal tail bound to nucleosome core particle | Descriptor: | Histone H2A type 1, Histone H2B type 1-C/E/F/G/I, Histone H3.2, ... | Authors: | Spangler, C.J, Budziszewski, G.R, McGinty, R.K. | Deposit date: | 2021-12-21 | Release date: | 2022-05-04 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Multivalent DNA and nucleosome acidic patch interactions specify VRK1 mitotic localization and activity. Nucleic Acids Res., 50, 2022
|
|
1O4D
| CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262. | Descriptor: | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
7T4Z
| Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in ligand-free form | Descriptor: | AMMONIUM ION, GLYCEROL, Molybdate-binding periplasmic protein, ... | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
|
|
1O4U
| |
8I7H
| Meso-Diaminopimelate dehydrogenase | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | Authors: | Wu, T.F, Song, W. | Deposit date: | 2023-01-31 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Analysis of the catalytic mechanism of meso-DAPDH and extension of D-aromatic amino acid substrate scope To Be Published
|
|
1NM8
| Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer | Descriptor: | Carnitine O-acetyltransferase | Authors: | Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R. | Deposit date: | 2003-01-09 | Release date: | 2003-03-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer J.Biol.Chem., 278, 2003
|
|
8I8Z
| |
1O5D
| Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
|
|
8I8F
| Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | Authors: | Shi, X, Liu, W. | Deposit date: | 2023-02-04 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design. Int.J.Biol.Macromol., 262, 2024
|
|
1NMN
| Structure of yqgF from Escherichia coli, a hypothetical protein | Descriptor: | Hypothetical protein yqgF | Authors: | Galkin, A, Sarikaya, E, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-01-10 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of yqgF from Escherichia coli, a hypothetical protein To be Published
|
|
3DD7
| |
1NMW
| Solution structure of the PPIase domain of human Pin1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Bayer, E, Goettsch, S, Mueller, J.W, Griewel, B, Guiberman, E, Mayr, L, Bayer, P. | Deposit date: | 2003-01-12 | Release date: | 2003-07-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Analysis of the Mitotic Regulator hPin1 in Solution: INSIGHTS INTO DOMAIN ARCHITECTURE AND SUBSTRATE BINDING. J.Biol.Chem., 278, 2003
|
|