4TV9
 
 | | Tubulin-PM060184 complex | | Descriptor: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | Deposit date: | 2014-06-26 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6BQ1
 | | Human PI4KIIIa lipid kinase complex | | Descriptor: | 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ... | | Authors: | Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M. | | Deposit date: | 2017-11-27 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MPT
 | | Crystal Structure of Periplasmic binding Protein Type 1 from Bordetella pertussis Tohama I | | Descriptor: | ACETIC ACID, Putative leu/ile/val-binding protein, SODIUM ION | | Authors: | Kim, Y, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-13 | | Release date: | 2013-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Periplasmic binding Protein Type 1 from Bordetella pertussis Tohama I
To be Published
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5IR2
 | | Crystal structure of novel cellulases from microbes associated with the gut ecosystem | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cellulase, ... | | Authors: | Chang, C, Mack, J, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2016-03-11 | | Release date: | 2016-03-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | Crystal structure of novel cellulases from microbes associated with the gut ecosystem
To Be Published
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6LQA
 | | voltage-gated sodium channel Nav1.5 with quinidine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Quinidine, Sodium channel protein type 5 subunit alpha | | Authors: | Yan, N, Li, Z, Pan, X, Huang, G. | | Deposit date: | 2020-01-13 | | Release date: | 2021-03-24 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Na v 1.5 by the Antiarrhythmic Drug Quinidine*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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9H8R
 | | Crystal structure of Nkp46 in complex with a bicyclic peptide BCY00016132 | | Descriptor: | 1,2-ETHANEDIOL, 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, 2-AMINO-ETHANETHIOL, ... | | Authors: | Pellegrino, S, Carr, K, Bezerra, G.A. | | Deposit date: | 2024-10-29 | | Release date: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of Nkp46 in complex with a bicyclic peptide BCY00016132
To Be Published
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5BY5
 | | High resolution structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis | | Descriptor: | L-ectoine synthase, S-1,2-PROPANEDIOL | | Authors: | Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J. | | Deposit date: | 2015-06-10 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
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8JT1
 | | COLLAGENASE FROM GRIMONTIA (VIBRIO) HOLLISAE 1706B COMPLEXED WITH GLY-PRO-HYP-GLY-PRO-HYP | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-mer peptide, ... | | Authors: | Ueshima, S, Yaskawa, K, Takita, T, Mikami, B. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into the catalytic mechanism of Grimontia hollisae collagenase through structural and mutational analyses.
Febs Lett., 597, 2023
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8ERR
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7XTO
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8K8J
 | | Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex | | Descriptor: | Fenofibrate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | | Deposit date: | 2023-07-30 | | Release date: | 2024-02-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
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6X96
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6X98
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6UWV
 | | BACE-1 in complex with compound #34 | | Descriptor: | (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Hendle, J, Stout, S.L. | | Deposit date: | 2019-11-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
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5W8Q
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1UOO
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9E2U
 | | Crystal structure of DDB1-CRBN-ALV1 complex bound to triple ZnF of Helios (IKZF2 ZF1-3) | | Descriptor: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Nowak, R.P, Fischer, E.S. | | Deposit date: | 2024-10-23 | | Release date: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (4.11 Å) | | Cite: | Expanding the druggable zinc-finger proteome defines properties of drug-induced degradation.
Mol.Cell, 85, 2025
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4YMB
 | | Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111 | | Descriptor: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | | Deposit date: | 2015-03-06 | | Release date: | 2015-08-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
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2WH9
 | | Solution structure of GxTX-1E | | Descriptor: | GUANGXITOXIN-1EGXTX-1E | | Authors: | Lee, S.K, Jung, H.H, Lee, J.Y, Lee, C.W, Kim, J.I. | | Deposit date: | 2009-05-02 | | Release date: | 2010-05-26 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Gxtx-1E, a High Affinity Tarantula Toxin Interacting with Voltage Sensors in Kv2.1 Potassium Channels.
Biochemistry, 49, 2010
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9MTS
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with mRNA, A-site Q230-unmodified Release Factor 1, and P-site fMEAAAKC-peptidyl-tRNAcys at 2.70A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Basu, R.S, Vassilevski, A.A, Gagnon, M.G, Polikanov, Y.S. | | Deposit date: | 2025-01-12 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism of release factor-mediated peptidyl-tRNA hydrolysis on the ribosome.
Science, 388, 2025
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6UZU
 | | Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 | | Descriptor: | 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | McKenna, R, Mboge, M.Y, Mahon, B.P. | | Deposit date: | 2019-11-15 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides.
Eur J Med Chem, 132, 2017
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5CAO
 | | EGFR kinase domain mutant "TMLR" with compound 29 | | Descriptor: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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7B3V
 | | Crystal structure of c-MET bound by compound 3 | | Descriptor: | 3-(3-methyl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, Hepatocyte growth factor receptor | | Authors: | Collie, G.W. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
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5J2Q
 | | HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site | | Descriptor: | DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), HIV-1 reverse transcriptase p51 domain, ... | | Authors: | Salie, Z.L, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2016-03-29 | | Release date: | 2016-08-03 | | Last modified: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (2.789 Å) | | Cite: | Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
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4K8B
 | | Crystal structure of HCV NS3/4A protease complexed with inhibitor | | Descriptor: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, NS3 protease, Nonstructural protein, ... | | Authors: | Nar, H. | | Deposit date: | 2013-04-18 | | Release date: | 2014-03-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease.
J.Med.Chem., 57, 2014
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