8CPJ
| Crystal structure of PPAR gamma (PPARG) in an inactive form | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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6C0J
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | Deposit date: | 2018-01-01 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors. Elife, 7, 2018
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6TEQ
| Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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6NR9
| hTRiC-hPFD Class5 | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | Deposit date: | 2019-01-23 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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8ORK
| cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | De Rose, S.A, Isupov, M. | Deposit date: | 2023-04-14 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus . Front Microbiol, 14, 2023
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4ZR7
| The structure of a domain of a functionally unknown protein from Bacillus subtilis subsp. subtilis str. 168 | Descriptor: | ACETATE ION, CHLORIDE ION, Sensor histidine kinase ResE | Authors: | Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-05-11 | Release date: | 2015-05-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The structure of a domain of a functionally unknown protein from Bacillus subtilis subsp. subtilis str. 168 To Be Published
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3N40
| Crystal structure of the immature envelope glycoprotein complex of Chikungunya virus. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A. | Deposit date: | 2010-05-21 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography. Nature, 468, 2010
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6BOI
| Crystal Structure of LdtMt2 (56-408) with a panipenem adduct at the active site cysteine-354 | Descriptor: | (3S,5R)-5-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-({(3R)-1-[(1E)-ethanimidoyl]pyrrolidin-3-yl}sulfanyl)-L-proline, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Saavedra, H, Bianchet, M.A. | Deposit date: | 2017-11-20 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Structures and Mechanism of Inhibition of Mycobacterium tuberculosis L,D-transpeptidase 2 by Panipenem To Be Published
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5HP3
| Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA sequence derived from S. cerevisiae BDF2 gene with AC mismatch at reaction site | Descriptor: | Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5'-R(*GP*AP*CP*UP*GP*AP*AP*CP*GP*AP*CP*CP*AP*AP*UP*GP*UP*GP*GP*GP*GP*AP*A)-3'), ... | Authors: | Matthews, M.M, Fisher, A.J, Beal, P.A. | Deposit date: | 2016-01-20 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Structures of human ADAR2 bound to dsRNA reveal base-flipping mechanism and basis for site selectivity. Nat.Struct.Mol.Biol., 23, 2016
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6NRC
| hTRiC-hPFD Class3 | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | Authors: | Gestaut, D, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | Deposit date: | 2019-01-23 | Release date: | 2019-06-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.3 Å) | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis. Cell, 177, 2019
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8ORU
| cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus bound to 2,3-diphosphoglycerate and ADP. | Descriptor: | (2R)-2,3-diphosphoglyceric acid, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | De Rose, S.A, Isupov, M. | Deposit date: | 2023-04-17 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus . Front Microbiol, 14, 2023
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6NTN
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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5MT0
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7ZUB
| Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex | Descriptor: | (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, ... | Authors: | Gruszczyk, J, Savva, C.G, Lai-Kee-Him, J, Bous, J, Ancelin, A, Kwong, H.S, Grandvuillemin, L, Bourguet, W. | Deposit date: | 2022-05-12 | Release date: | 2022-11-23 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex. Nat Commun, 13, 2022
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8SMV
| GPR161 Gs heterotrimer | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hoppe, N, Manglik, A, Harrison, S. | Deposit date: | 2023-04-26 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | GPR161 structure uncovers the redundant role of sterol-regulated ciliary cAMP signaling in the Hedgehog pathway. Biorxiv, 2023
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6GI6
| Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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8TBP
| HLA-DRB1*15:01 in complex with smith antigen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | Authors: | Ting, Y.T, Broury, A, Ooi, J. | Deposit date: | 2023-06-29 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.12621117 Å) | Cite: | Smith-specific regulatory T cells halt the progression of lupus nephritis. Nat Commun, 15, 2024
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7SR5
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7ZX2
| Tubulin-Pelophen B complex | Descriptor: | (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A. | Deposit date: | 2022-05-20 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site. Structure, 31, 2023
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4U9P
| Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii | Descriptor: | GLYCEROL, UPF0264 protein MJ1099 | Authors: | Bobik, T.A, Morales, E, Shin, A, Cascio, D, Sawaya, M.R, Arbing, M, Rasche, M.E. | Deposit date: | 2014-08-06 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii. Acta Crystallogr.,Sect.F, 70, 2014
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6TLS
| HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | Descriptor: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
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5KJN
| SMYD2 in complex with AZ506 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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8SUV
| CHIP-TPR in complex with the C-terminus of CHIC2 | Descriptor: | Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION | Authors: | Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C. | Deposit date: | 2023-05-13 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP Biorxiv, 2023
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6OAG
| Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 | Descriptor: | Farnesyl pyrophosphate synthase, PHOSPHATE ION, [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Authors: | Park, J, Berghuis, A.M. | Deposit date: | 2019-03-16 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J.Med.Chem., 62, 2019
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8T7T
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