3T65
 
 | | S25-2- A(2-8)KDO disaccharide complex | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ... | | Authors: | Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V. | | Deposit date: | 2011-07-28 | | Release date: | 2011-08-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Germline antibody recognition of distinct carbohydrate epitopes.
Nat.Struct.Biol., 10, 2003
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7W9L
 | | Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | Deposit date: | 2021-12-10 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
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2H5S
 | | SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase | | Descriptor: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase | | Authors: | van den Akker, F, Padayatti, P.S. | | Deposit date: | 2006-05-27 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone.
J.Am.Chem.Soc., 128, 2006
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1VF5
 | | Crystal Structure of Cytochrome b6f Complex from M.laminosus | | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | | Authors: | Kurisu, G, Zhang, H, Smith, J.L, Cramer, W.A. | | Deposit date: | 2004-04-08 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Cytochrome B6F Complex of Oxygenic Photosynthesis: Tuning the Cavity
Science, 302, 2003
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2Q9F
 | | Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate | | Descriptor: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Cytochrome P450 46A1, GLYCEROL, ... | | Authors: | White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A. | | Deposit date: | 2007-06-12 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3T77
 | | S25-2- A(2-4)KDO disaccharide complex | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ... | | Authors: | Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V. | | Deposit date: | 2011-07-29 | | Release date: | 2011-08-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Germline antibody recognition of distinct carbohydrate epitopes.
Nat.Struct.Biol., 10, 2003
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2Q9M
 | | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
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2H7J
 | | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | | Deposit date: | 2006-06-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
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1W1Q
 | | Plant Cytokinin Dehydrogenase in Complex with Isopentenyladenine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ... | | Authors: | Malito, E, Mattevi, A. | | Deposit date: | 2004-06-23 | | Release date: | 2004-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
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1SQN
 | | Progesterone Receptor Ligand Binding Domain with bound Norethindrone | | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor | | Authors: | Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. | | Deposit date: | 2004-03-19 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
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2KTD
 | | Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Prostaglandin-H2 D-isomerase | | Authors: | Shimamoto, S, Maruo, H, Yoshida, T, Kato, N, Ohkubo, T. | | Deposit date: | 2010-01-27 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Lipocalin-type Prostaglandin D synthase / Substrate analog complex reveals Open-Closed Conformational Change required for Substrate Recognition
To be Published
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2HXZ
 | | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) | | Descriptor: | Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION | | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | | Deposit date: | 2006-08-04 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
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2G44
 | | Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-1M-G and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide | | Descriptor: | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2006-02-21 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and characterization of novel estrogen
receptor agonist ligands and development of biochips for
nuclear receptor drug discovery
Thesis, 2006
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2Q7Y
 | | Structure of the endogenous iNKT cell ligand iGb3 bound to mCD1d | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Zajonc, D.M, Wilson, I.A, Teyton, L. | | Deposit date: | 2007-06-07 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of Mouse CD1d-iGb3 Complex and its Cognate Valpha14 T Cell Receptor Suggest a Model for Dual Recognition of Foreign and Self Glycolipids.
J.Mol.Biol., 377, 2008
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1W1R
 | | Plant Cytokinin Dehydrogenase in Complex with trans-Zeatin | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Malito, E, Mattevi, A. | | Deposit date: | 2004-06-23 | | Release date: | 2004-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis
J.Mol.Biol., 341, 2004
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1W1L
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2R2H
 | | Structure of S25-2 in Complex with Ko | | Descriptor: | Fab, antibody fragment (IgG1k), heavy chain, ... | | Authors: | Brooks, C.L, Evans, S.V. | | Deposit date: | 2007-08-25 | | Release date: | 2008-12-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
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2QNV
 | | Crystal Structure of the Pregnane X Receptor bound to Colupulone | | Descriptor: | 3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one, Orphan nuclear receptor PXR | | Authors: | Teotico, D.G, Bischof, J, Redinbo, M.R. | | Deposit date: | 2007-07-19 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Pregnane X Receptor bound to Colupulone
TO BE PUBLISHED
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2R2E
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2QIQ
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8UD6
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD7
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD8
 | | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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1Q16
 | | Crystal structure of Nitrate Reductase A, NarGHI, from Escherichia coli | | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ... | | Authors: | Bertero, M.G, Strynadka, N.C.J. | | Deposit date: | 2003-07-18 | | Release date: | 2003-10-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the respiratory electron transfer pathway from the structure of nitrate reductase A
Nat.Struct.Biol., 10, 2003
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1O6H
 | | Squalene-Hopene Cyclase | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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