2P4J
 
 | | Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives at P2-P3 | | Descriptor: | Beta-secretase 1, N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Hong, L, Ghosh, A.K, Tang, J. | | Deposit date: | 2007-03-12 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.
J.Med.Chem., 50, 2007
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1TZH
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1TSX
 | | THYMIDYLATE SYNTHASE R179E MUTANT | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1995-12-05 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
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6MR8
 | | D276G DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ... | | Authors: | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
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1N42
 | | Crystal Structure of Annexin V R149E Mutant | | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces
J.Biol.Chem., 278, 2003
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2QEI
 | | Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine | | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ALANINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-25 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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2QZX
 | | Secreted aspartic proteinase (Sap) 5 from Candida albicans | | Descriptor: | Candidapepsin-5, Pepstatin | | Authors: | Lee, J.H, Ruge, E, Borelli, C, Maskos, K, Huber, R. | | Deposit date: | 2007-08-17 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans.
Proteins, 72, 2008
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2QZW
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1JG1
 | | Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-ADENOSYL-L-HOMOCYSTEINE | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, protein-L-isoaspartate O-methyltransferase | | Authors: | Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O. | | Deposit date: | 2001-06-22 | | Release date: | 2001-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
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1NFQ
 | | Rv2002 gene product from Mycobacterium tuberculosis | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Androsterone, Putative oxidoreductase Rv2002 | | Authors: | Yang, J.K, Park, M.S, Waldo, G.S, Suh, S.W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-12-15 | | Release date: | 2002-12-30 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 100, 2003
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1NI7
 | | NORTHEAST STRUCTURAL GENOMIC CONSORTIUM TARGET ER75 | | Descriptor: | Hypothetical protein ygdK | | Authors: | Liu, G, Chiang, Y, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-12-21 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-quality homology models derived from NMR and X-ray structures of E. coli proteins YgdK and Suf E suggest that all members of the YgdK/Suf E protein family are enhancers of cysteine desulfurases.
Protein Sci., 14, 2005
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1NI8
 | | H-NS dimerization motif | | Descriptor: | DNA-binding protein H-NS | | Authors: | Bloch, V, Yang, Y, Margeat, E, Chavanieu, A, Aug, M.T, Robert, B, Arold, S, Rimsky, S, Kochoyan, M. | | Deposit date: | 2002-12-22 | | Release date: | 2003-02-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The H-NS dimerisation domain defines a new fold contributing to DNA recognition
Nat.Struct.Biol., 10, 2003
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1NJQ
 | | NMR structure of the single QALGGH zinc finger domain from Arabidopsis thaliana SUPERMAN protein | | Descriptor: | ZINC ION, superman protein | | Authors: | Isernia, C, Bucci, E, Leone, M, Zaccaro, L, Di Lello, P, Digilio, G, Esposito, S, Saviano, M, Di Blasio, B, Pedone, C, Pedone, P.V, Fattorusso, R. | | Deposit date: | 2003-01-02 | | Release date: | 2003-03-04 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the Single QALGGH Zinc Finger Domain from the Arabidopsis thaliana SUPERMAN Protein.
Chembiochem, 4, 2003
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2RCR
 | | STRUCTURE OF THE MEMBRANE-BOUND PROTEIN PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, Coenzyme Q10, ... | | Authors: | Chang, C.-H, Norris, J, Schiffer, M. | | Deposit date: | 1991-02-04 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the membrane-bound protein photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 30, 1991
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2SPM
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2SPO
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2SPN
 | | A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN UNUSUALLY HIGH O2 AFFINITY AND LOW AUTOOXIDATION RATE | | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-08-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate.
J.Biol.Chem., 267, 1992
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2RBH
 | | Gamma-glutamyl cyclotransferase | | Descriptor: | Gamma-glutamyl cyclotransferase | | Authors: | Oakley, A.J, Board, P.G. | | Deposit date: | 2007-09-19 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The identification and structural characterization of C7orf24 as gamma-glutamyl cyclotransferase. An essential enzyme in the gamma-glutamyl cycle
J.Biol.Chem., 283, 2008
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2KA3
 | | Structure of EMILIN-1 C1Q-like domain | | Descriptor: | EMILIN-1 | | Authors: | Verdone, G, Corazza, A, Colebrooke, S.A, Cicero, D.O, Eliseo, T, Boyd, J, Doliana, R, Fogolari, F, Viglino, P, Colombatti, A, Campbell, I.D, Esposito, G. | | Deposit date: | 2008-10-30 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR-based homology model for the solution structure of the C-terminal globular domain of EMILIN1
J.Biomol.Nmr, 43, 2009
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5SMJ
 | | Trypanothione reductase | | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fiorillo, A, Ilari, A. | | Deposit date: | 2022-03-05 | | Release date: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
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4LWF
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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1P6B
 | | X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T | | Descriptor: | DIETHYL 4-METHYLBENZYLPHOSPHONATE, ETHYL DIHYDROGEN PHOSPHATE, Parathion hydrolase, ... | | Authors: | Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M. | | Deposit date: | 2003-04-29 | | Release date: | 2003-09-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
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4M4E
 | | TRAF domain of human TRAF4 | | Descriptor: | TNF receptor-associated factor 4 | | Authors: | Niu, F, Ru, H, Ding, W, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-08-07 | | Release date: | 2013-09-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural biology study of human TNF receptor associated factor 4 TRAF domain
Protein Cell, 4, 2013
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5SGA
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4GNY
 | | Bovine beta-lactoglobulin complex with dodecyl sulfate | | Descriptor: | Beta-lactoglobulin, DODECYL SULFATE, GLYCEROL | | Authors: | Gutierrez-Magdaleno, G, Torres-Rivera, A, Garcia-Hernandez, E, Rodriguez-Romero, A. | | Deposit date: | 2012-08-17 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6367 Å) | | Cite: | Ligand-binding and self-association cooperativity of beta-lactoglobulin
J.Mol.Recognit., 26, 2013
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