3D66
 
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2R8N
 | | Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease | | Descriptor: | GLYCEROL, Pol protein | | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | | Deposit date: | 2007-09-11 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance.
Acta Crystallogr.,Sect.D, 64, 2008
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3D67
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2RLQ
 | | NMR structure of CCP modules 2-3 of complement factor H | | Descriptor: | Complement factor H | | Authors: | Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D. | | Deposit date: | 2007-07-29 | | Release date: | 2008-02-19 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
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3DGV
 | | Crystal structure of thrombin activatable fibrinolysis inhibitor (TAFI) | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Anand, K, Pallares, I, Valnickova, Z, Christensen, T, Schreuder, H, Enghild, J. | | Deposit date: | 2008-06-16 | | Release date: | 2008-07-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of thrombin-activable fibrinolysis inhibitor (TAFI) provides the structural basis for its intrinsic activity and the short half-life of TAFIa.
J.Biol.Chem., 283, 2008
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2THF
 | | STRUCTURE OF HUMAN ALPHA-THROMBIN Y225F MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, THROMBIN HEAVY CHAIN, ... | | Authors: | Caccia, S, Futterer, K, Di Cera, E, Waksman, G. | | Deposit date: | 1999-01-26 | | Release date: | 1999-03-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
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7POO
 | | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P212121. | | Descriptor: | ACETATE ION, BFT-3, PROLINE, ... | | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-09-09 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
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7POQ
 | | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P41212. | | Descriptor: | 1,2-ETHANEDIOL, BFT-3, CHLORIDE ION, ... | | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-09-09 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
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7PND
 | | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis at 1.85 A resolution. | | Descriptor: | BFT-3, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-09-06 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
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7POL
 | | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine | | Descriptor: | (12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid, BFT-3, CHLORIDE ION, ... | | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-09-09 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
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7POU
 | | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with hesperetin. | | Descriptor: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, BFT-3, DIMETHYL SULFOXIDE, ... | | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | | Deposit date: | 2021-09-09 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
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2RLP
 | | NMR structure of CCP modules 1-2 of complement factor H | | Descriptor: | Complement factor H | | Authors: | Hocking, H.G, Herbert, A.P, Pangburn, M.K, Kavanagh, D, Barlow, P.N, Uhrin, D. | | Deposit date: | 2007-07-28 | | Release date: | 2008-02-19 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Structure of the N-terminal region of complement factor H and conformational implications of disease-linked sequence variations.
J.Biol.Chem., 283, 2008
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3RY6
 | | Complex of fcgammariia (CD32) and the FC of human IGG1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ... | | Authors: | Ramsland, P.A, Farrugia, W, Scott, A.M, Hogarth, P.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Basis for Fc{gamma}RIIa Recognition of Human IgG and Formation of Inflammatory Signaling Complexes.
J.Immunol., 187, 2011
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3TJY
 | | Structure of the Pto-binding domain of HopPmaL generated by limited chymotrypsin digestion | | Descriptor: | CHLORIDE ION, Effector protein hopAB3, SULFATE ION | | Authors: | Singer, A.U, Stein, A, Xu, X, Cui, H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-08-25 | | Release date: | 2011-09-14 | | Last modified: | 2013-01-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analysis of HopPmaL reveals the presence of a second adaptor domain common to the HopAB family of Pseudomonas syringae type III effectors.
Biochemistry, 51, 2012
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5ER2
 | | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | | Deposit date: | 1991-01-02 | | Release date: | 1991-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
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5ER1
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6I9A
 | | Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Gomis-Ruth, F.X, Guevara, T, Rofdriguez-Banqueri, A. | | Deposit date: | 2018-11-22 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor.
Sci Rep, 9, 2019
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7S83
 | | Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ... | | Authors: | Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
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7SIF
 | | Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-10-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
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7SJF
 | | Structure of Dehaloperoxidase B in Complex with Thymol | | Descriptor: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | | Deposit date: | 2021-10-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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8DJA
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5Y9L
 | | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | | Descriptor: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2017-08-25 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
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5YCZ
 | | Crystal structure of Alocasin, protease inhibitor from Giant Taro (Arum macrorrhizon) | | Descriptor: | Trypsin/chymotrypsin inhibitor | | Authors: | Vajravijayan, S, Pletnev, S, Nandhagopal, N, Gunasekaran, K. | | Deposit date: | 2017-09-08 | | Release date: | 2018-06-13 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Crystal structure of a novel Kunitz type inhibitor, alocasin with anti-Aedes aegypti activity targeting midgut proteases.
Pest Manag. Sci., 74, 2018
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7T9C
 | | Crystal structure of dehaloperoxidase B in complex with thymol | | Descriptor: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Ghiladi, R.A, Malewschik, T, Yun, D. | | Deposit date: | 2021-12-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
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5YJK
 | | Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | | Descriptor: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2017-10-11 | | Release date: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
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