5NDD
 
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-08 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
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6HMR
 | | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID | | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | | Deposit date: | 2018-09-12 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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7U8K
 | | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | | Descriptor: | Actin, alpha skeletal muscle, Cofilin-2 | | Authors: | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | | Deposit date: | 2022-03-08 | | Release date: | 2023-08-16 | | Last modified: | 2024-02-28 | | Method: | SOLID-STATE NMR | | Cite: | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
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5A79
 | | Novel inter-subunit contacts in Barley Stripe Mosaic Virus revealed by cryo-EM | | Descriptor: | CAPSID PROTEIN, RNA | | Authors: | Clare, D.K, Pechnikova, E, Skurat, E, Makarov, V, Sokolova, O.S, Solovyev, A.G, V Orlova, E. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Novel Inter-Subunit Contacts in Barley Stripe Mosaic Virus Revealed by Cryo-Electron Microscopy.
Structure, 23, 2015
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2NZJ
 | | The crystal structure of REM1 in complex with GDP | | Descriptor: | CHLORIDE ION, GTP-binding protein REM 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Turnbull, A.P, Papagrigoriou, E, Ugochukwu, E, Elkins, J.M, Soundararajan, M, Yang, X, Gorrec, F, Umeano, C, Salah, E, Burgess, N, Johansson, C, Berridge, G, Gileadi, O, Bray, J, Marsden, B, Watts, S, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-23 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of REM1 in complex with GDP
To be Published
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6WKX
 | | Cryo-EM of Form 1 related peptide filament, 15-10-3 | | Descriptor: | peptide 15-10-3 | | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2020-04-17 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
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3HTE
 | | Crystal structure of nucleotide-free hexameric ClpX | | Descriptor: | ATP-dependent Clp protease ATP-binding subunit clpX, SULFATE ION | | Authors: | Glynn, S.E, Martin, A, Baker, T.A, Sauer, R.T. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.026 Å) | | Cite: | Structures of asymmetric ClpX hexamers reveal nucleotide-dependent motions in a AAA+ protein-unfolding machine.
Cell(Cambridge,Mass.), 139, 2009
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6WMF
 | | Human Sun2-KASH5 complex | | Descriptor: | POTASSIUM ION, Protein KASH5, SUN domain-containing protein 2 | | Authors: | Cruz, V.E, Schwartz, T.U. | | Deposit date: | 2020-04-21 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of Different LINC Complexes Reveals Distinct Binding Modes.
J.Mol.Biol., 432, 2020
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1KHP
 | | Monoclinic form of papain/ZLFG-DAM covalent complex | | Descriptor: | Papain, peptidic inhibitor | | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | | Deposit date: | 2001-11-30 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor
J.Pept.Res., 64, 2004
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4WEY
 | | Crystal structure of E.Coli DsbA in complex with compound 17 | | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | | Deposit date: | 2014-09-11 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA.
Angew.Chem.Int.Ed.Engl., 54, 2015
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6ZGD
 | | GLIC pentameric ligand-gated ion channel, pH 7 | | Descriptor: | Proton-gated ion channel | | Authors: | Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E. | | Deposit date: | 2020-06-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
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6ZGJ
 | | GLIC pentameric ligand-gated ion channel, pH 5 | | Descriptor: | Proton-gated ion channel | | Authors: | Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E. | | Deposit date: | 2020-06-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
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6QCG
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5YYM
 | | Crystal structures of E.coli arginyl-trna synthetase (argrs) in complex with substrate Arg | | Descriptor: | ARGININE, Arginine--tRNA ligase | | Authors: | Zhou, M, Ye, S, Stephen, P, Zhang, R.G, Wang, E.D, Giege, R, Lin, S.X. | | Deposit date: | 2017-12-10 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures Of E.Coli Arginyl-Trna Synthetase (Argrs) In Complex With Substrates
To Be Published
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5N0Z
 | | hPAD4 crystal complex with AFM-41a | | Descriptor: | 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ... | | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | Deposit date: | 2017-02-03 | | Release date: | 2017-05-24 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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2H89
 | | Avian Respiratory Complex II with Malonate Bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
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5N1B
 | | hPAD4 crystal complex with AFM-14a | | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-24 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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7V35
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, 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: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-10 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7LZ3
 | | Computational design of constitutively active cGAS | | Descriptor: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | | Deposit date: | 2021-03-08 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
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6QKW
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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5M1F
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c | | Descriptor: | Phage terminase large subunit | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-07 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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1OE5
 | | Xenopus SMUG1, an anti-mutator uracil-DNA Glycosylase | | Descriptor: | 2'-DEOXYURIDINE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*CP*3DRP*GP*GP*AP*CP*TP*3DRP*AP*CP*GP*GP*GP)-3', ... | | Authors: | Wibley, J.E.A, Pearl, L.H. | | Deposit date: | 2003-03-19 | | Release date: | 2003-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Mol.Cell, 11, 2003
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6VU7
 | | Crystal structure of YbjN, a putative transcription regulator from E. coli | | Descriptor: | CHLORIDE ION, YbjN protein | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-02-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of YbjN, a putative transcription regulator from E. coli
To Be Published
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5H2K
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 2 us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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