7PD7
 
 | | Crocagin methyl transferase CgnL | | Descriptor: | GLYCEROL, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Zheng, D, Koehnke, J. | | Deposit date: | 2021-08-04 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
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4QXI
 | | Crystal structure of human AR complexed with NADP+ and AK198 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | | Deposit date: | 2014-07-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.867 Å) | | Cite: | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition.
Acs Chem.Biol., 10, 2015
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3ZVE
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 | | Descriptor: | 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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3DQT
 | | Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2008-07-09 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
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2VTD
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2008-05-14 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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3ZG1
 | | NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Girard, E, Coves, J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metal Sensing and Signal Transduction by Cnrx from Cupriavidus Metallidurans Ch34: Role of the Only Methionine Assessed by a Functional, Spectroscopic, and Theoretical Study
Metallomics, 6, 2014
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3JBO
 | | Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to P/E-tRNA | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ... | | Authors: | Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J. | | Deposit date: | 2015-09-16 | | Release date: | 2015-10-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
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7PE3
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6BGJ
 | | Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel.
Nature, 552, 2017
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7PQH
 | | Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains). | | Descriptor: | Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8 | | Authors: | Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R. | | Deposit date: | 2021-09-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
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5Y6P
 | | Structure of the phycobilisome from the red alga Griffithsia pacifica | | Descriptor: | ApcD, ApcF, LC, ... | | Authors: | Zhang, J, Ma, J.F, Liu, D.S, Sun, S, Sui, S.F. | | Deposit date: | 2017-08-13 | | Release date: | 2017-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of phycobilisome from the red alga Griffithsia pacifica
Nature, 551, 2017
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3JZG
 | | Structure of EED in complex with H3K27me3 | | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | | Authors: | Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-23 | | Release date: | 2009-12-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
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6J26
 | | Crystal structure of the branched-chain polyamine synthase from Thermococcus kodakarensis (Tk-BpsA) in complex with N4-bis(aminopropyl)spermidine and 5'-methylthioadenosine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, FE (III) ION, N(4)-bis(aminopropyl)spermidine synthase, ... | | Authors: | Mizohata, E, Toyoda, M, Fujita, J, Inoue, T. | | Deposit date: | 2018-12-31 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The C-terminal flexible region of branched-chain polyamine synthase facilitates substrate specificity and catalysis.
Febs J., 286, 2019
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3ZV9
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74 | | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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2V5N
 | | STRUCTURE OF HUMAN IGF2R DOMAINS 11-12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | | Deposit date: | 2007-07-06 | | Release date: | 2007-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
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7PS8
 | | NMR Structure of the U3 RNA G-quadruplex | | Descriptor: | POTASSIUM ION, RNA (5'-R(*CP*AP*GP*GP*GP*AP*GP*GP*UP*GP*UP*GP*GP*CP*CP*UP*GP*GP*GP*CP*GP*GP*G)-3') | | Authors: | Marquevielle, J, Amrane, S. | | Deposit date: | 2021-09-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the U3 RNA G-quadruplex
To Be Published
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7PVU
 | | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2021-10-05 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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3ZVC
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82 | | Descriptor: | 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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6C9A
 | | Cryo-EM structure of mouse TPC1 channel in the PtdIns(3,5)P2-bound state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2018-01-25 | | Release date: | 2018-04-04 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
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6JBI
 | | Structure of Tps1 apo structure | | Descriptor: | Trehalose-6-phosphate synthase | | Authors: | Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J. | | Deposit date: | 2019-01-25 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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7QCQ
 | | VHH Z70 in interaction with PHF6 Tau peptide | | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
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6JAK
 | | OtsA apo structure | | Descriptor: | Trehalose-6-phosphate synthase | | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | | Deposit date: | 2019-01-24 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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7QG7
 | | SARS-CoV-2 macrodomain Nsp3b bound to the remdesivir nucleoside GS-441524 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3 | | Authors: | Wollenhaupt, J, Linhard, V, Sreeramulu, S, Weiss, M.S, Schwalbe, H. | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.
J.Mol.Biol., 434, 2022
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4QS9
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2VHK
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