6CE8
| Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
|
|
4ZNH
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Fluoro-substituted OBHS derivative | Descriptor: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
|
|
1E1J
| Human prion protein variant M166V | Descriptor: | PRION PROTEIN | Authors: | Calzolai, L, Lysek, D.A, Guntert, P, Von Schroetter, C, Zahn, R, Riek, R, Wuthrich, K. | Deposit date: | 2000-05-09 | Release date: | 2000-07-20 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | NMR Structures of Three Single-Residue Variants of the Human Prion Protein Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
4PR4
| Human Aldose Reductase complexed with Schl7802 at 1.06 A | Descriptor: | 3-(3'-nitrobiphenyl-3-yl)propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2014-03-05 | Release date: | 2015-04-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase To be Published
|
|
6CEC
| Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
|
|
5N4Y
| Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2,5-dihydro-1H-isothiochromeno[3,4-d]pyrazol-3-one | Descriptor: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one, Pimtide, Serine/threonine-protein kinase pim-1 | Authors: | Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2017-02-11 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A crystallographic fragment study with human Pim-1 kinase to be published
|
|
5N5L
| |
4PM9
| Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14 | Authors: | Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T. | Deposit date: | 2014-05-20 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases. Biochemistry, 54, 2015
|
|
5VC7
| VCP like ATPase from T. acidophilum (VAT) - conformation 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase | Authors: | Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L. | Deposit date: | 2017-03-31 | Release date: | 2017-04-26 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of a AAA+ unfoldase in the process of unfolding substrate. Elife, 6, 2017
|
|
6NF6
| Structure of chicken Otop3 in nanodiscs | Descriptor: | CHOLESTEROL HEMISUCCINATE, Otopetrin3 | Authors: | Saotome, K, Lee, W.H, Liman, E.R, Ward, A.B. | Deposit date: | 2018-12-18 | Release date: | 2019-06-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structures of the otopetrin proton channels Otop1 and Otop3. Nat.Struct.Mol.Biol., 26, 2019
|
|
6EJP
| Yersinia YscU C-terminal fragment in complex with a synthetic compound | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ... | Authors: | Karlberg, T, Thorsell, A.G, Ho, O, Sunduru, N, Elofsson, M, Wolf-Watz, M, Schuler, H. | Deposit date: | 2017-09-22 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Yersinia YscU C-terminal fragment in complex with a synthetic compound To Be Published
|
|
4J8C
| |
6CEY
| Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Lividomycin moieties | Descriptor: | (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, Bifunctional AAC/APH, CHLORIDE ION, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2018-02-13 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia. Antimicrob. Agents Chemother., 62, 2018
|
|
4ZIN
| Genetically encoded Phenyl Azide Photochemistry Drive Positive and Negative Functional Modulation of a Red Fluorescent Protein | Descriptor: | 1,2-ETHANEDIOL, MCherry fluorescent protein, SULFATE ION | Authors: | Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D. | Deposit date: | 2015-04-28 | Release date: | 2015-09-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein Rsc Adv, 5, 2015
|
|
8WAF
| Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1 | Descriptor: | Protein CHUP1, chloroplastic | Authors: | Shimada, A, Takano, A, Nakamura, Y, Kohda, D. | Deposit date: | 2023-09-07 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement. Plant Cell, 36, 2024
|
|
5NB6
| Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | Descriptor: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N. | Deposit date: | 2017-03-01 | Release date: | 2017-06-28 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
|
|
5UPD
| Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) | Descriptor: | Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ... | Authors: | Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-02 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1) To Be Published
|
|
7K7C
| Crystal structure of diphtheria toxin from crystals obtained at pH 5.5 | Descriptor: | Diphtheria toxin | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S. | Deposit date: | 2020-09-22 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain. Toxins, 12, 2020
|
|
6CHX
| |
6ENZ
| Crystal structure of mouse GADL1 | Descriptor: | Acidic amino acid decarboxylase GADL1, PYRIDOXAL-5'-PHOSPHATE | Authors: | Raasakka, A, Mahootchi, E, Winge, I, Luan, W, Kursula, P, Haavik, J. | Deposit date: | 2017-10-07 | Release date: | 2018-01-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the mouse acidic amino acid decarboxylase GADL1. Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
6HI8
| The ATAD2 bromodomain in complex with compound 11 | Descriptor: | 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-10-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
|
|
6HID
| The ATAD2 bromodomain in complex with compound 16 | Descriptor: | ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | Authors: | Sledz, P, Caflisch, A. | Deposit date: | 2018-08-29 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.768 Å) | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
|
|
6SZC
| |
5NDT
| |
5F9L
| |