6DO8
 
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6DOE
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6DPH
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1HDJ
 | | HUMAN HSP40 (HDJ-1), NMR | | Descriptor: | HUMAN HSP40 | | Authors: | Qian, Y.Q, Patel, D, Hartl, F.-U, Mccoll, D.J. | | Deposit date: | 1996-05-09 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance solution structure of the human Hsp40 (HDJ-1) J-domain.
J.Mol.Biol., 260, 1996
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5D2F
 | | 4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - apo form | | Descriptor: | 1,2-ETHANEDIOL, 4-oxalocrotonate decarboxylase NahK, ACETATE ION, ... | | Authors: | Guimaraes, S.L, Nagem, R.A.P. | | Deposit date: | 2015-08-05 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
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5LP9
 | | FimA wt from S. flexneri | | Descriptor: | Major type 1 subunit fimbrin (Pilin) | | Authors: | Zyla, D, Capitani, G, Prota, A, Glockshuber, R. | | Deposit date: | 2016-08-12 | | Release date: | 2017-12-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (0.88626635 Å) | | Cite: | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 2019
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7DO7
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5ISC
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0491 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-03-15 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0491
To Be Published
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5LRC
 | | Crystal structure of Glycogen Phosphorylase in complex with KS114 | | Descriptor: | (1S)-1,5-anhydro-1-(5-phenyl-4H-1,2,4-triazol-3-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2016-08-18 | | Release date: | 2017-06-14 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
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7KZA
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6BN3
 | | CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Rodriguez, M.M, Gutkind, G, Ishii, Y, Bonomo, R.A, Klinke, S. | | Deposit date: | 2017-11-16 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.278 Å) | | Cite: | Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.
Antimicrob.Agents Chemother., 65, 2021
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7DCF
 | | Crystal structure of EHMT2 SET domain in complex with compound 10 | | Descriptor: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Suzuki, M, Katayama, K. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Acs Med.Chem.Lett., 12, 2021
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9LVR
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, 6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y. | | Deposit date: | 2025-02-12 | | Release date: | 2025-05-14 | | Last modified: | 2025-08-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the Clinical Candidate S-892216 : A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19.
J.Med.Chem., 2025
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7DB4
 | | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in TDP012- and glutathione-bound form | | Descriptor: | 1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one, GLUTATHIONE, Glutathione S-transferase E14 | | Authors: | Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R. | | Deposit date: | 2020-10-18 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
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3KXR
 | | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. | | Descriptor: | CHLORIDE ION, Magnesium transporter, putative | | Authors: | Fratczak, Z, Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-12-03 | | Release date: | 2009-12-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1.
To be Published
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6BCB
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6G6R
 | | Human Methionine Adenosyltransferase II with SAMe and PPNP | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2018-04-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
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9G14
 | | Human LTC4 synthase in complex with compound 2 | | Descriptor: | 1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2024-07-09 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.
J.Med.Chem., 68, 2025
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5AKZ
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 1-CYCLOHEXYL-3-METHYL-UREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-05 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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4J0S
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-01-31 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
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1FGA
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5XND
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5T6W
 | | HLA-B*57:01 presenting SSTRGISQLW | | Descriptor: | Beta-2-microglobulin, Decapeptide: SER-SER-THR-ARG-GLY-ILE-SER-GLN-LEU-TRP, GLYCEROL, ... | | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2016-09-01 | | Release date: | 2017-03-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
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5ICN
 | | HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4 | | Descriptor: | GLY-ALA-6A0-ARG-HIS, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Millard, C.J, Robertson, N.S, Watson, P.J, Jameson, A.G, Schwabe, J.W.R. | | Deposit date: | 2016-02-23 | | Release date: | 2016-05-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Insights into the activation mechanism of class I HDAC complexes by inositol phosphates.
Nat Commun, 7, 2016
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4J3G
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