4R10
 
 | | A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo | | Descriptor: | 1,2-ETHANEDIOL, Cadherin-related hmr-1, Protein humpback-2, ... | | Authors: | Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I. | | Deposit date: | 2014-08-03 | | Release date: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
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6IVQ
 | | Crystal structure of a membrane protein S19A | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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4RGX
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
To be Published, 2014
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8JZ1
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6ETT
 | | Crystal structure of KDM4D with tetrazole compound 4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-10-27 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.257 Å) | | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases.
Chemmedchem, 14, 2019
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6SA8
 | | ring-like DARPin-Armadillo fusion H83_D01 | | Descriptor: | 1,2-ETHANEDIOL, LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG-LYS-ARG, ring-like DARPin-Armadillo fusion H83_D01 | | Authors: | Ernst, P, Honegger, A, van der Valk, F, Ewald, C, Mittl, P.R.E, Plucktun, A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rigid fusions of designed helical repeat binding proteins efficiently protect a binding surface from crystal contacts.
Sci Rep, 9, 2019
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8DXM
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromophenol at the Knuckles site | | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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5XHV
 | | Crystal Structure Of Fab S40 In Complex With Influenza Hemagglutinin, HA1 subunit. | | Descriptor: | Hemagglutinin, S40 heavy chain, S40 light chain | | Authors: | Lee, C.C, Wang, A.H.J, Yu, C.M, Yang, A.S. | | Deposit date: | 2017-04-24 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | High throughput discovery of influenza virus neutralizing antibodies from phage-displayed synthetic antibody libraries.
Sci Rep, 7, 2017
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5X4X
 | | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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5JLZ
 | | Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32 | | Descriptor: | Alpha-enolase, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A. | | Deposit date: | 2016-04-28 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Front Immunol, 7, 2016
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4RGQ
 | | Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP | | Descriptor: | 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-1-phosphate dehydrogenase, ... | | Authors: | Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J. | | Deposit date: | 2014-09-30 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
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4RH0
 | | Spore photoproduct lyase C140A/S76C mutant with bound AdoMet | | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, SULFATE ION, ... | | Authors: | Benjdia, A, Heil, K, Winkler, A, Carell, T, Schlichting, I. | | Deposit date: | 2014-10-01 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rescuing DNA repair activity by rewiring the H-atom transfer pathway in the radical SAM enzyme, spore photoproduct lyase.
Chem.Commun.(Camb.), 50, 2014
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4RH1
 | | Spore photoproduct lyase C140A/S76C mutant with bound AdoMet and dinucleoside spore photoproduct | | Descriptor: | 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione, IRON/SULFUR CLUSTER, SULFATE ION, ... | | Authors: | Benjdia, A, Heil, K, Winkler, A, Carell, T, Schlichting, I. | | Deposit date: | 2014-10-01 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Rescuing DNA repair activity by rewiring the H-atom transfer pathway in the radical SAM enzyme, spore photoproduct lyase.
Chem.Commun.(Camb.), 50, 2014
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6VGV
 | | Crystal structure of VidaL intein | | Descriptor: | GLYCEROL, VidaL | | Authors: | Burton, A.J, Haugbro, M, Parisi, E, Muir, T.W. | | Deposit date: | 2020-01-09 | | Release date: | 2020-05-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Live-cell protein engineering with an ultra-short split intein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6EV0
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129) | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ... | | Authors: | Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | Deposit date: | 2017-10-31 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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8AF2
 | | Human Sterol Carrier Protein with unnatural amino acid 2,2'-bipyridine alanine incorporated at position 111 | | Descriptor: | COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ... | | Authors: | Richardson, J.M, Klemencic, E, Jarvis, A.G. | | Deposit date: | 2022-07-15 | | Release date: | 2023-08-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
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7UO4
 | | SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
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7UOB
 | | SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state | | Descriptor: | 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
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6SEH
 | | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease | | Descriptor: | Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ZINC ION | | Authors: | Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
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7UO9
 | | SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic state | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
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6SEU
 | | X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Ferraro, G, Giorgio, A, Merlino, A. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
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8ARD
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6SAB
 | | M-BUTX-Ptr1a (Parabuthus transvaalicus) | | Descriptor: | M-BUTX-Ptr1a | | Authors: | Meudal, H, Landon, C, Delmas, A.F. | | Deposit date: | 2019-07-16 | | Release date: | 2020-07-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists.
J.Med.Chem., 63, 2020
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8ASA
 | | Crystal structure of AO75L | | Descriptor: | 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... | | Authors: | Laugeri, M.E, Speciale, I, Gimeno, A, Lin, S, Poveda, A, Lowary, T, Van Etten, J.L, Barbero, J.J, De Castro, C, Tonetti, M, Rojas, A.L. | | Deposit date: | 2022-08-18 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of AO75L
To Be Published
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6IMV
 | | The complex structure of endo-beta-1,2-glucanase from Talaromyces funiculosus with sophorose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
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