7CR3
 
 | | human KCNQ2-CaM in apo state | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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6DK1
 | | Human sigma-1 receptor bound to (+)-pentazocine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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5FOQ
 | | Acetylcholinesterase in complex with C7653 | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A. | | Deposit date: | 2015-11-25 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
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1M66
 | | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-chloro-purine | | Descriptor: | 2-BROMO-6-CHLORO-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2002-07-12 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
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2A7L
 | | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | | Descriptor: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-05 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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3WX2
 | | Mouse Cereblon thalidomide binding domain, native | | Descriptor: | Protein cereblon, SULFATE ION, ZINC ION | | Authors: | Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
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2A4D
 | | Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1) | | Descriptor: | Ubiquitin-conjugating enzyme E2 variant 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-28 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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2MVU
 | | Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide | | Authors: | Dong, X, Bailey, C, Williams, C, Crosby, J, Simpson, T.J, Willis, C.L, Crump, M.P. | | Deposit date: | 2014-10-15 | | Release date: | 2015-10-21 | | Method: | SOLUTION NMR | | Cite: | ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates
To be Published
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1R4S
 | | URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID | | Descriptor: | 9-METHYL URIC ACID, CYSTEINE, Uricase | | Authors: | Retailleau, P, Colloc'h, N, Prange, T. | | Deposit date: | 2003-10-08 | | Release date: | 2004-03-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
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4RXA
 | | Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 | | Descriptor: | Farnesyl pyrophosphate synthase, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide, PHOSPHATE ION | | Authors: | Liu, Y.-L, Cao, R, Wang, Y, Oldfield, E. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
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3WX1
 | | Mouse Cereblon thalidomide binding domain, selenomethionine derivative | | Descriptor: | Protein cereblon, SULFATE ION, ZINC ION | | Authors: | Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T. | | Deposit date: | 2014-07-10 | | Release date: | 2014-08-06 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
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4RYP
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1M67
 | | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-hydroxy-purine | | Descriptor: | 2-BROMO-6-HYDROXY-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2002-07-12 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
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4Q0O
 | | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one, POTASSIUM ION, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
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2N14
 | | Mdmx-295 | | Descriptor: | 4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | | Authors: | Grace, C.R, Kriwacki, R.W. | | Deposit date: | 2015-03-20 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
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1IUB
 | | Fucose-specific lectin from Aleuria aurantia (Hg-derivative form) | | Descriptor: | CHLORIDE ION, Fucose-specific lectin, MERCURY (II) ION, ... | | Authors: | Fujihashi, M, Peapus, D.H, Kamiya, N, Nagata, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-01 | | Release date: | 2003-09-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal Structure of Fucose-Specific Lectin from Aleuria aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites
Biochemistry, 42, 2003
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2OQC
 | | Crystal Structure of Penicillin V acylase from Bacillus subtilis | | Descriptor: | Penicillin V acylase | | Authors: | Suresh, C.G, Rathinaswamy, P, Pundle, A.V, Prabhune, A.A, Sivaraman, H, Brannigan, J.A, Dodson, G.G. | | Deposit date: | 2007-01-31 | | Release date: | 2008-01-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Penicillin V acylase from Bacillus subtilis
to be published
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3WCB
 | | The complex structure of TcSQS with ligand, BPH1237 | | Descriptor: | Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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3WCL
 | | The complex structure of HsSQS wtih ligand,BPH1344 | | Descriptor: | Squalene synthase, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-28 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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4RXD
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4EJY
 | | Structure of MBOgg1 in complex with high affinity DNA ligand | | Descriptor: | 3-Methyladenine DNA glycosylase, DNA (5'-D(*AP*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*T*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ... | | Authors: | Jiang, T, Yu, H.J, Bi, L.J, Zhang, X.E, Yang, M.Z. | | Deposit date: | 2012-04-08 | | Release date: | 2013-03-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of MBOgg1 in complex with two abasic DNA ligands
J.Struct.Biol., 181, 2013
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4RL3
 | | Crystal Structure of the Catalytic Domain of a family GH18 Chitinase from fern, Peteris ryukyuensis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Chitinase A, ... | | Authors: | Umemoto, N, Numata, T, Ohnuma, T, Fukamizo, T. | | Deposit date: | 2014-10-15 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A class III chitinase without disulfide bonds from the fern, Pteris ryukyuensis: crystal structure and ligand-binding studies.
Planta, 242, 2015
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2ABI
 | | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone | | Descriptor: | DESOXYCORTICOSTERONE, Mineralocorticoid receptor | | Authors: | Huyet, J, Pinon, G.-M, Rochel, M, Mayer, C, Rafestin-Oblin, M.-E, Fagart, J. | | Deposit date: | 2005-07-15 | | Release date: | 2006-07-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone
To be published
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3B6D
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5INI
 | | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | | Descriptor: | HEXANOYL-COENZYME A, Putative carboxyl transferase | | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | | Deposit date: | 2016-03-07 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
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