PDB: 92212 resultsInfo pagesStatus searchChemie searchBIRD

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8ZKV	Engineering Threonine Deaminase Catalytic Domain into a Tetrameric Configuration, Independent of Allosteric Regulation Descriptor: L-threonine dehydratase biosynthetic IlvA, SULFATE ION Authors: Khodi, S. Deposit date: 2024-05-17 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Investigating the Dynamics of Catalytic Domains in Threonine Deaminase to Elucidating Allosteric Regulation To Be Published
4G8N	Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M Descriptor: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid, CHLORIDE ION, Glutamate receptor, ... Authors: Venskutonyte, R, Kastrup, J.S, Frydenvang, K, Gajhede, M. Deposit date: 2012-07-23 Release date: 2012-08-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors. J.Struct.Biol., 180, 2012
8B5D	Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ABC transporter permease subunit, DI(HYDROXYETHYL)ETHER, ... Authors: Whittaker, J, Guskov, A. Deposit date: 2022-09-22 Release date: 2023-10-04 Method: X-RAY DIFFRACTION (2 Å) Cite: Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ To Be Published
8B5E	Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ Descriptor: ABC transporter permease subunit, ARGININE, DI(HYDROXYETHYL)ETHER, ... Authors: Whittaker, J, Guskov, A. Deposit date: 2022-09-22 Release date: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ To Be Published
5B41	Crystal structure of VDR-LBD complexed with 2-methylidene-19-nor-1a,25-dihydroxyvitamin D3 Descriptor: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor Authors: Anami, Y, Itoh, T, Yamamoto, K. Deposit date: 2016-03-23 Release date: 2016-12-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Apo- and Antagonist-Binding Structures of Vitamin D Receptor Ligand-Binding Domain Revealed by Hybrid Approach Combining Small-Angle X-ray Scattering and Molecular Dynamics J.Med.Chem., 59, 2016
5QC3	Crystal structure of human Cathepsin-S with bound ligand Descriptor: 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one, Cathepsin S Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.998 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QCJ	Crystal structure of human Cathepsin-S with bound ligand Descriptor: 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium, Cathepsin S, SULFATE ION Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
6QZH	Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA Descriptor: 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ... Authors: Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J. Deposit date: 2019-03-11 Release date: 2019-09-04 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell, 178, 2019
1WKC	Crystal structure of a 5-formyltetrahydrofolate cycloligase-related protein from Thermus thermophilus HB8 Descriptor: HB8 TT1367 protein, SULFATE ION Authors: Yanai, H, Tsuge, H, Utsunomiya, H, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2004-05-31 Release date: 2004-12-01 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a 5-formyltetrahydrofolate cycloligase-related protein from Thermus thermophilus HB8 To be Published
1QLE	CRYO-STRUCTURE OF THE PARACOCCUS DENITRIFICANS FOUR-SUBUNIT CYTOCHROME C OXIDASE IN THE COMPLETELY OXIDIZED STATE COMPLEXED WITH AN ANTIBODY FV FRAGMENT Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CCYTOCHROME C OXIDASE, ... Authors: Harrenga, A, Michel, H. Deposit date: 1999-08-30 Release date: 1999-12-02 Last modified: 2022-05-04 Method: X-RAY DIFFRACTION (3 Å) Cite: The Cytochrome C Oxidase from Paracoccus Denitrificans Does not Change the Metal Center Ligation Upon Reduction J.Biol.Chem., 274, 1999
6UC3	Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions Descriptor: BIOTIN, Streptavidin Authors: Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. Deposit date: 2019-09-13 Release date: 2020-09-16 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
2EKU	Crystal structure of myoglobin reconstituted with 7-methyl-7-depropionatehemin Descriptor: 7-METHYL-7-DEPROPIONATEHEMIN, Myoglobin, SULFATE ION Authors: Harada, K, Makino, M, Sugimoto, H, Hirota, S, Matsuo, T, Shiro, Y, Hisaeda, Y, Hayashi, T. Deposit date: 2007-03-25 Release date: 2007-08-14 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure and ligand binding properties of myoglobins reconstituted with monodepropionated heme: functional role of each heme propionate side chain Biochemistry, 46, 2007
5QBW	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (3.01 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QCB	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QCC	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QBZ	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, N-{[2-chloro-5-(4-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-3,4-dihydropyrazin-2-yl)phenyl]methyl}-4-fluorobenzamide Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QC8	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QC6	Crystal structure of human Cathepsin-S with bound ligand Descriptor: (4~{S})-1-[1-[(2~{S})-3-[3-[3-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]-2-oxidanyl-propyl]piperidin-4-yl]-4-oxidanyl-pyrrolidin-2-one, Cathepsin S Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QC1	Crystal structure of human Cathepsin-S with bound ligand Descriptor: (2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl)phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol, Cathepsin S Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.082 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QCH	Crystal structure of human Cathepsin-S with bound ligand Descriptor: 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide, Cathepsin S, GLYCEROL, ... Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QC0	Crystal structure of human Cathepsin-S with bound ligand Descriptor: 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one, Cathepsin S Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QCG	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine, SULFATE ION Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
7PHR	Structure of a fully assembled T-cell receptor engaging a tumor-associated peptide-MHC I Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... Authors: Susac, L, Thomas, C, Tampe, R. Deposit date: 2021-08-18 Release date: 2022-08-31 Method: ELECTRON MICROSCOPY (3.08 Å) Cite: Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC. Cell, 185, 2022
5QCD	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, SULFATE ION, {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published
5QC9	Crystal structure of human Cathepsin-S with bound ligand Descriptor: Cathepsin S, N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide Authors: Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. Deposit date: 2017-08-04 Release date: 2017-12-20 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of human Cathepsin-S with bound ligand To be published

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