5EFD
 
 | | Crystal structure of a surface pocket creating mutant (W6A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | 1,2-ETHANEDIOL, Beta-xylanase, CHLORIDE ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2015-10-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches.
J.Chem.Inf.Model., 2021
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7RNN
 | | Human ASIC1a-Nb.C1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Nanobodies Nb.C1 | | Authors: | Wu, Y, Chen, Z, Sigworth, F.J, Canessa, C.M. | | Deposit date: | 2021-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structure and analysis of nanobody binding to the human ASIC1a ion channel.
Elife, 10, 2021
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3KM3
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5EDX
 | | Crystal structure of swine CD8aa homodimer | | Descriptor: | CD8 alpha antigen | | Authors: | Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C. | | Deposit date: | 2015-10-22 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
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5ELB
 | | Cholera toxin classical B-pentamer in complex with Lewis-y | | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin B subunit, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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5TFA
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFG
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP | | Descriptor: | 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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3KPD
 | | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
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3KQM
 | | Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole | | Descriptor: | 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3KQS
 | | Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole | | Descriptor: | 1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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5EPK
 | | Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866 | | Descriptor: | Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866 | | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-12-23 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
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5EQU
 | | Crystal structure of the epimerase SnoN in complex with Fe3+, alpha ketoglutarate and nogalamycin RO | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Nogalamycin RO, ... | | Authors: | Selvaraj, B, Lindqvist, Y, Siitonen, V, Metsa-Ketela, M, Schneider, G. | | Deposit date: | 2015-11-13 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Divergent non-heme iron enzymes in the nogalamycin biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3KZU
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5EH8
 | | human carbonic anhydrase II in complex with ligand | | Descriptor: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, Carbonic anhydrase 2, FORMIC ACID, ... | | Authors: | Ren, B. | | Deposit date: | 2015-10-28 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.381 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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3KPJ
 | | Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate | | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-16 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3KQW
 | | Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole | | Descriptor: | 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3L3X
 | | Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3 | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3 | | Authors: | Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E. | | Deposit date: | 2009-12-18 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
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5ELN
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3L4G
 | | Crystal structure of Homo Sapiens cytoplasmic Phenylalanyl-tRNA synthetase | | Descriptor: | PHENYLALANINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain | | Authors: | Finarov, I, Moor, N, Kessler, N, Klipcan, L, Safro, M.G. | | Deposit date: | 2009-12-20 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of human cytosolic phenylalanyl-tRNA synthetase: evidence for kingdom-specific design of the active sites and tRNA binding patterns.
Structure, 18, 2010
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7RSE
 | | NMR-driven structure of the KRAS4B-G12D "alpha-beta" dimer on a lipid bilayer nanodisc | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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7RSC
 | | NMR-driven structure of the KRAS4B-G12D "alpha-alpha" dimer on a lipid bilayer nanodisc | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Lee, K, Enomoto, M, Gebregiworgis, T, Gasmi-Seabrook, G.M, Ikura, M, Marshall, C.B. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Oncogenic KRAS G12D mutation promotes dimerization through a second, phosphatidylserine-dependent interface: a model for KRAS oligomerization.
Chem Sci, 12, 2021
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5EP5
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5EPJ
 | | Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866 | | Descriptor: | Chromobox protein homolog 7, UNKNOWN ATOM OR ION, peptide-like inhibitor UNC3866 | | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-12-16 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866
to be published
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3KPV
 | | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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5EFU
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