3G3R
 
 | |
1YE8
 | | Crystal Structure of THEP1 from the hyperthermophile Aquifex aeolicus | | Descriptor: | Hypothetical UPF0334 kinase-like protein AQ_1292, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Rossbach, M, Daumke, O, Klinger, C, Wittinghofer, A, Kaufmann, M. | | Deposit date: | 2004-12-28 | | Release date: | 2005-03-29 | | Last modified: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold
BMC Struct.Biol., 5, 2005
|
|
1S08
 | | Crystal Structure of the D147N Mutant of 7,8-Diaminopelargonic Acid Synthase | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION | | Authors: | Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
|
|
7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
|
|
7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
|
|
1S0A
 | | Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION | | Authors: | Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
|
|
2VCF
 | | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE FROM SOYBEAN CYTOSOL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-09-21 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
|
|
1SB1
 | | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | | Descriptor: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | | Authors: | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | | Deposit date: | 2004-02-09 | | Release date: | 2004-06-08 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
|
|
7RJI
 | | BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid | | Descriptor: | BthTX-IIb, SODIUM ION, STEARIC ACID, ... | | Authors: | Borges, R.J, Fontes, M.R.M. | | Deposit date: | 2021-07-21 | | Release date: | 2022-01-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility.
Int.J.Biol.Macromol., 191, 2021
|
|
2V3O
 | | Thrombin with 3-cycle with F | | Descriptor: | (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID, CALCIUM ION, HIRUDIN IIA, ... | | Authors: | Banner, D.W, Wessel, H.P. | | Deposit date: | 2007-06-19 | | Release date: | 2008-06-24 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
|
|
7ROJ
 | | Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation | | Descriptor: | Alpha-crystallin B chain peptide, GLYCEROL, SODIUM ION, ... | | Authors: | Sawaya, M.R, Do, T.D, Eisenberg, D.S. | | Deposit date: | 2021-07-30 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic view of an amyloid dodecamer exhibiting selective cellular toxic vulnerability in acute brain slices.
Protein Sci., 31, 2022
|
|
2V8F
 | | Mouse Profilin IIa in complex with a double repeat from the FH1 domain of mDia1 | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | | Authors: | Kursula, P, Kursula, I, Downer, J, Witke, W, Wilmanns, M. | | Deposit date: | 2007-08-07 | | Release date: | 2007-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
|
|
3CYX
 | | Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | | Authors: | Liu, F, Weber, I.T. | | Deposit date: | 2008-04-27 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
|
|
7RM3
 | | Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA | | Descriptor: | 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ... | | Authors: | Kucharska, I, Ivanochko, D, Julien, J.P. | | Deposit date: | 2021-07-26 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats.
Elife, 11, 2022
|
|
2V3H
 | | Thrombin with 3-cycle no F | | Descriptor: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID, CALCIUM ION, HIRUDIN IIA, ... | | Authors: | Banner, D.W, Obst, U. | | Deposit date: | 2007-06-18 | | Release date: | 2008-06-24 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
|
|
7RHS
 | | Cryo-EM structure of apo-state of human CNGA3/CNGB3 channel | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cyclic nucleotide-gated cation channel alpha-3, Cyclic nucleotide-gated cation channel beta-3, ... | | Authors: | Zheng, X, Yang, J. | | Deposit date: | 2021-07-18 | | Release date: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 29, 2022
|
|
7RG8
 | | Crystal Structure of a Stable Heparanase Mutant | | Descriptor: | ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ... | | Authors: | Whitefield, C, Hong, N.S, Jackson, C.J. | | Deposit date: | 2021-07-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
|
|
2UUJ
 | | Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | Deposit date: | 2007-03-03 | | Release date: | 2007-09-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
7RBF
 | | Human DNA polymerase beta crosslinked binary complex - B | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RBE
 | | Human DNA polymerase beta crosslinked binary complex - A | | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CITRIC ACID, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RBG
 | | Human DNA polymerase beta crosslinked ternary complex 1 | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | | Authors: | Reed, A.J, Kumar, A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7ROO
 | |
7RC3
 | | Aeronamide N-methyltransferase, AerE (Y137F) | | Descriptor: | ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RC4
 | | Aeronamide N-methyltransferase, AerE (D141A) | | Descriptor: | CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7RC6
 | | Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 | | Descriptor: | Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
