6E0Y
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6E0Z
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1WIO
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6E17
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6E0X
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7N1N
| Prx in complex with ComR DNA-binding domain | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx | Authors: | Rutbeek, N.R, Prehna, G. | Deposit date: | 2021-05-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox. J.Biol.Chem., 297, 2021
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7NFC
| Cryo-EM structure of NHEJ super-complex (dimer) | Descriptor: | DNA (27-MER), DNA (28-MER), DNA ligase 4, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2021-02-05 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.14 Å) | Cite: | Cryo-EM of NHEJ supercomplexes provides insights into DNA repair. Mol.Cell, 81, 2021
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7NFE
| Cryo-EM structure of NHEJ super-complex (monomer) | Descriptor: | DNA (5'-D(P*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*CP*TP*AP*TP*TP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(P*TP*AP*AP*TP*AP*AP*TP*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*AP*G)-3'), DNA ligase 4, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2021-02-06 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.29 Å) | Cite: | Cryo-EM of NHEJ supercomplexes provides insights into DNA repair. Mol.Cell, 81, 2021
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6RPE
| Structure of 5% reduced KpDyP in complex with cyanide | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-14 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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1IZE
| Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution. J.Mol.Biol., 326, 2003
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6E62
| Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with antibody 85RF45.1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 85RF45.1 Fab heavy chain, 85RF45.1 Fab light chain, ... | Authors: | Kundu, P, Semesi, A, Julien, J.P. | Deposit date: | 2018-07-23 | Release date: | 2018-11-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural delineation of potent transmission-blocking epitope I on malaria antigen Pfs48/45. Nat Commun, 9, 2018
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6RR5
| Structure of 50% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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1IZD
| Crystal structure of Aspergillus oryzae Aspartic Proteinase | Descriptor: | Aspartic proteinase, alpha-D-mannopyranose | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Aspergillus oryzae Aspartic Proteinase and its Complex with an Inhibitor Pepstatin at 1.9 A Resolution J.Mol.Biol., 326, 2003
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6RPD
| Structure of ferrous KpDyP in complex with cyanide | Descriptor: | CYANIDE ION, GLYCEROL, Iron-dependent peroxidase, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-14 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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1K1J
| BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1K1M
| BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1OYT
| COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | Descriptor: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | Authors: | Banner, D.W, Olsen, J.A. | Deposit date: | 2003-04-07 | Release date: | 2003-06-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions. Angew.Chem.Int.Ed.Engl., 42, 2003
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1K1P
| BOVINE TRYPSIN-INHIBITOR COMPLEX | Descriptor: | CALCIUM ION, TRYPSIN, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | Authors: | Stubbs, M.T. | Deposit date: | 2001-09-25 | Release date: | 2001-11-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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1K2X
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1IA1
| Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997) | Descriptor: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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1IA2
| Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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1JIW
| Crystal structure of the APR-APRin complex | Descriptor: | ALKALINE METALLOPROTEINASE, CALCIUM ION, PROTEINASE INHIBITOR, ... | Authors: | Hege, T, Feltzer, R.E, Gray, R.D, Baumann, U. | Deposit date: | 2001-07-03 | Release date: | 2001-08-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of a complex between Pseudomonas aeruginosa alkaline protease and its cognate inhibitor: inhibition by a zinc-NH2 coordinative bond J.Biol.Chem., 276, 2001
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1JN9
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1IA4
| Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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1IAU
| HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GRANZYME B, ... | Authors: | Rotonda, J, Garcia-Calvo, M, Bull, H.G, Geissler, W.M, McKeever, B.M, Willoughby, C.A, Thornberry, N.A, Becker, J.W. | Deposit date: | 2001-03-23 | Release date: | 2001-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of human granzyme B compared to caspase-3, key mediators of cell death with cleavage specificity for aspartic acid in P1. Chem.Biol., 8, 2001
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