5IMP
 
 | | Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Christianson, D.W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.038 Å) | | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
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6O9P
 | | Wild-type SaSQS1 Complexed with Ibandronate | | Descriptor: | 1,2-ETHANEDIOL, IBANDRONATE, MAGNESIUM ION, ... | | Authors: | Blank, P.N, Christianson, D.W. | | Deposit date: | 2019-03-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
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6O9Q
 | | Wild-type SaSQS1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Sesquisabinene B synthase 1 | | Authors: | Blank, P.N, Christianson, D.W. | | Deposit date: | 2019-03-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
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6QGB
 | | Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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5INZ
 | | Racemic structure of baboon theta defensin-2 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ... | | Authors: | Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J. | | Deposit date: | 2016-03-08 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
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6TZN
 | | Structure of S. pombe telomerase accessory protein Pof8 C-terminal domain | | Descriptor: | NITRATE ION, Protein pof8 | | Authors: | Basu, R.S, Cascio, D, Eichhorn, C.D, Feigon, J. | | Deposit date: | 2019-08-12 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins.
Rna Biol., 18, 2021
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6OA6
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8DMO
 | | Structure of open, inward-facing MsbA from E. coli | | Descriptor: | ATP-binding transport protein MsbA | | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | | Deposit date: | 2022-07-08 | | Release date: | 2022-12-14 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Nat Commun, 13, 2022
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5AK9
 | | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MN | | Descriptor: | 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3, ... | | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | | Deposit date: | 2015-03-02 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
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5KKY
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5KLG
 | | Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811 | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2016-06-24 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
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6OBA
 | | The beta2 adrenergic receptor bound to a negative allosteric modulator | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | | Deposit date: | 2019-03-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
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6U1S
 | | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | | Deposit date: | 2019-08-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Computational Design of Transmembrane Channels
To Be Published
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8RH1
 | | Trimeric HSV-2F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | | Descriptor: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | Deposit date: | 2023-12-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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8RH0
 | | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | | Descriptor: | Envelope glycoprotein B, HDIT102 Fab heavy chain | | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | | Deposit date: | 2023-12-14 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
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8J45
 | | Crystal structure of a Pichia pastoris-expressed IsPETase variant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Poly(ethylene terephthalate) hydrolase | | Authors: | Li, X, He, H.L, Long, X, Niu, D, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-04-19 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Complete decomposition of poly(ethylene terephthalate) by crude PET hydrolytic enzyme produced in Pichia pastoris
Chem Eng J, 2023
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5KOP
 | | Arabidopsis thaliana fucosyltransferase 1 (FUT1) in its apo-form | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Galactoside 2-alpha-L-fucosyltransferase | | Authors: | Rocha, J, de Sanctis, D, Breton, C. | | Deposit date: | 2016-07-01 | | Release date: | 2016-10-12 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016
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6U4P
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | Descriptor: | Alpha-hemolysin, SULFATE ION, fos-choline-14 | | Authors: | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | Deposit date: | 2019-08-26 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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6U6Z
 | | Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide | | Descriptor: | DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Yu, C.H, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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8WT5
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6QFS
 | | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | | Deposit date: | 2019-01-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
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6LTO
 | | cryo-EM structure of full length human Pannexin1 | | Descriptor: | Pannexin-1 | | Authors: | Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D. | | Deposit date: | 2020-01-23 | | Release date: | 2020-05-13 | | Last modified: | 2020-05-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
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6M7K
 | | Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C13, cyclic AMP-AMP-GMP | | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | | Deposit date: | 2018-08-20 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
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6OGH
 | | Structure of Aedes aegypti OBP22 in the complex with linoleic acid | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ... | | Authors: | Jones, D.N, Wang, J. | | Deposit date: | 2019-04-02 | | Release date: | 2019-04-24 | | Last modified: | 2020-05-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
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8BSC
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