3SA5
 
 | | Crystal structure of wild-type HIV-1 protease in complex with AF69 | | Descriptor: | ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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1ZWA
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1ZWC
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1I3H
 | | CONCANAVALIN A-DIMANNOSE STRUCTURE | | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | Authors: | Sanders, D.A.R, Moothoo, D.N, Raftery, J, Howard, A.J, Helliwell, J.R, Naismith, J.H. | | Deposit date: | 2001-02-15 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The 1.2 A resolution structure of the Con A-dimannose complex.
J.Mol.Biol., 310, 2001
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3BIS
 | | Crystal Structure of the PD-L1 | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N. | | Deposit date: | 2007-11-30 | | Release date: | 2008-02-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4OIA
 | | Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group P4322 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M. | | Deposit date: | 2014-01-19 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions.
Acta Crystallogr.,Sect.D, 70, 2014
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3WKY
 | | Crystal structure of hemolymph type prophenoloxidase (proPOb) from crustacean | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Masuda, T, Mikami, B. | | Deposit date: | 2013-11-02 | | Release date: | 2014-04-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The crystal structure of a crustacean prophenoloxidase provides a clue to understanding the functionality of the type 3 copper proteins.
Febs J., 281, 2014
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2HU0
 | | N1 neuraminidase in complex with oseltamivir 1 | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-26 | | Release date: | 2006-09-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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1GC1
 | | HIV-1 GP120 CORE COMPLEXED WITH CD4 AND A NEUTRALIZING HUMAN ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, CD4, ... | | Authors: | Kwong, P.D, Wyatt, R, Robinson, J, Sweet, R.W, Sodroski, J, Hendrickson, W.A. | | Deposit date: | 1998-06-15 | | Release date: | 1998-07-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of an HIV gp120 envelope glycoprotein in complex with the CD4 receptor and a neutralizing human antibody.
Nature, 393, 1998
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1R4W
 | | Crystal structure of Mitochondrial class kappa glutathione transferase | | Descriptor: | GLUTATHIONE, Glutathione S-transferase, mitochondrial | | Authors: | Ladner, J.E, Parsons, J.F, Rife, C.L, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2003-10-08 | | Release date: | 2004-02-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Parallel Evolutionary Pathways for Glutathione Transferases: Structure and Mechanism of the Mitochondrial Class Kappa Enzyme rGSTK1-1
Biochemistry, 43, 2004
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2FI3
 | | Crystal structure of a BPTI variant (Cys14->Ser, Cys38->Ser) in complex with trypsin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
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2HOY
 | | Inter-subunit signaling in GSAM | | Descriptor: | Glutamate-1-semialdehyde 2,1-aminomutase (GSAM) apo-form, PHOSPHATE ION | | Authors: | Stetefeld, J. | | Deposit date: | 2006-07-17 | | Release date: | 2006-08-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Intersubunit signaling in glutamate-1-semialdehyde-aminomutase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1REM
 | | HUMAN LYSOZYME WITH MAN-B1,4-GLCNAC COVALENTLY ATTACHED TO ASP53 | | Descriptor: | LYSOZYME, NITRATE ION, R-1,2-PROPANEDIOL, ... | | Authors: | Muraki, M, Harata, K, Sugita, N, Sato, K. | | Deposit date: | 1998-01-14 | | Release date: | 1998-07-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structure of human lysozyme labelled with 2',3'-epoxypropyl beta-glycoside of man-beta1,4-GlcNAc. Structural change and recognition specificity at subsite B.
Acta Crystallogr.,Sect.D, 54, 1998
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2Q5L
 | | X-ray structure of phenylpyruvate decarboxylase in complex with 2-(1-hydroxyethyl)-3-deaza-ThDP | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Versees, W, Spaepen, S, Wood, M.D, Leeper, F.J, Vanderleyden, J, Steyaert, J. | | Deposit date: | 2007-06-01 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular mechanism of allosteric substrate activation in a thiamine diphosphate-dependent decarboxylase.
J.Biol.Chem., 282, 2007
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2FI5
 | | Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
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2HVW
 | | Crystal structure of dCMP deaminase from Streptococcus mutans | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Hou, H.F, Gao, Z.Q, Li, L.F, Liang, Y.H, Su, X.D, Dong, Y.H. | | Deposit date: | 2006-07-31 | | Release date: | 2007-09-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structures of Streptococcus mutans 2'-deoxycytidylate deaminase and its complex with substrate analog and allosteric regulator dCTP x Mg2+.
J.Mol.Biol., 377, 2008
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2Q03
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2WT2
 | | Galectin domain of porcine adenovirus type 4 NADC-1 isolate fibre complexed with tri(N-acetyl-lactosamine) | | Descriptor: | NITRATE ION, PUTATIVE FIBER PROTEIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J. | | Deposit date: | 2009-09-10 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains.
J. Virol., 84, 2010
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2HTX
 | | Crystal Structure Analysis of Hen Egg White Lysozyme Crosslinked by Polymerized Glutaraldehyde in Acidic Environment | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Wine, Y, Cohen-Hadar, N, Freeman, A, Lagziel-Simis, S, Frolow, F. | | Deposit date: | 2006-07-26 | | Release date: | 2007-05-22 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Elucidation of the mechanism and end products of glutaraldehyde crosslinking reaction by X-ray structure analysis
Biotechnol.Bioeng., 98, 2007
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2F4B
 | | Crystal structure of the ligand binding domain of human PPAR-gamma in complex with an agonist | | Descriptor: | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | Authors: | Lu, I.L, Peng, Y.H, Mahindroo, N, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2005-11-23 | | Release date: | 2006-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Indol-1-yl Acetic Acids as Peroxisome Proliferator-Activated Receptor Agonists: Design, Synthesis, Structural Biology, and Molecular Docking Studies
J.Med.Chem., 49, 2006
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4D5O
 | | Hypocrea jecorina cellobiohydrolase Cel7A E212Q soaked with xylopentaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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1YC6
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4L7B
 | | Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid | | Descriptor: | (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | | Deposit date: | 2013-06-13 | | Release date: | 2014-02-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
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2X69
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3KFN
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