8BD3
 
 | | Cryo-EM structure of the Photosystem II - LHCII supercomplex from Chlorella ohadi | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R)-beta,beta-caroten-3-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Fadeeva, M, Klaiman, D, Caspy, I, Nelson, N. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structure of Chlorella ohadii Photosystem II Reveals Protective Mechanisms against Environmental Stress.
Cells, 12, 2023
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6MBU
 | | Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) | | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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8EBZ
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6QXU
 | | Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one | | Descriptor: | 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ... | | Authors: | Musil, D, Lehmann, D, Buchstaller, H.-P. | | Deposit date: | 2019-03-08 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.
J.Med.Chem., 62, 2019
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6MBT
 | | Crystal structure of wild-type KRAS bound to GDP and Mg (Space group C2) | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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6MBQ
 | | Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
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3LCR
 | | Thioesterase from Tautomycetin Biosynthhetic Pathway | | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Tautomycetin biosynthetic PKS | | Authors: | Akey, D.L, Scaglione, J.B, Smith, J.L, Sherman, D.H. | | Deposit date: | 2010-01-11 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and structural characterization of the tautomycetin thioesterase: analysis of a stereoselective polyketide hydrolase.
Angew.Chem.Int.Ed.Engl., 49, 2010
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2LIU
 | | NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula | | Descriptor: | CurA | | Authors: | Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V. | | Deposit date: | 2011-09-01 | | Release date: | 2011-12-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase.
Acs Chem.Biol., 7, 2012
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3LPE
 | | Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii | | Descriptor: | DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION | | Authors: | Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F. | | Deposit date: | 2010-02-05 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif.
Nucleic Acids Res., 38, 2010
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8EPW
 | | Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2022-10-06 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
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6SAK
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8F1F
 | | Structure of K48-linked tri-ubiquitin in complex with cyclic peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Non-proteinogenic cyclic peptide (inhibitor), ... | | Authors: | Lubkowski, J, Fushman, D, Lemma, B. | | Deposit date: | 2022-11-05 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation.
Nat Commun, 14, 2023
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3Q0D
 | | Crystal structure of SUVH5 SRA- hemi methylated CG DNA complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*TP*GP*AP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*(5CM)P*GP*TP*CP*AP*G)-3'), ... | | Authors: | Eerappa, R, Simanshu, D.K, Patel, D.J. | | Deposit date: | 2010-12-15 | | Release date: | 2011-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3704 Å) | | Cite: | A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
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2HOR
 | | Crystal structure of alliinase from garlic- apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alliin lyase 1, ... | | Authors: | Shimon, L.J.W, Rabinkov, A, Wilcheck, M, Mirelman, D, Frolow, F. | | Deposit date: | 2006-07-16 | | Release date: | 2007-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two Structures of Alliinase from Alliium sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the PLP Cofactor.
J.Mol.Biol., 366, 2007
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6NKH
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6NKK
 | | Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide | | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-01-07 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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6SL5
 | | Dunaliella Photosystem I Supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y. | | Deposit date: | 2019-08-18 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Biochim Biophys Acta Bioenerg, 1861, 2020
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6NKI
 | | Structure of PhqB Reductase Domain from Penicillium fellutanum | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS | | Authors: | Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-01-07 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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6NKM
 | | Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | | Descriptor: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-01-07 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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3MJ4
 | | Crystal structure of UDP-galactopyranose mutase in complex with phosphonate analog of UDP-galactopyranose | | Descriptor: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Karunan Partha, S, Sadeghi-Khomami, A, Slowski, K, Kotake, T, Thomas, N.R, Jakeman, D.L, Sanders, D.A.R. | | Deposit date: | 2010-04-12 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Chemoenzymatic Synthesis, Inhibition Studies, and X-ray Crystallographic Analysis of the Phosphono Analog of UDP-Galp as an Inhibitor and Mechanistic Probe for UDP-Galactopyranose Mutase.
J.Mol.Biol., 403, 2010
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3Q0B
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3Q0F
 | | Crystal structure of SUVH5 SRA- methylated CHH DNA complex | | Descriptor: | DNA (5'-D(*CP*TP*GP*AP*GP*GP*AP*GP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*(5CM)P*CP*TP*CP*AP*G)-3'), Histone-lysine N-methyltransferase, ... | | Authors: | Eerappa, R, Simanshu, D.K, Patel, D.J. | | Deposit date: | 2010-12-15 | | Release date: | 2011-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
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6RV3
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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3Q0C
 | | Crystal structure of SUVH5 SRA-fully methylated CG DNA complex in space group P6122 | | Descriptor: | DNA (5'-D(*AP*CP*TP*AP*(5CM)P*GP*TP*AP*GP*TP*T)-3'), Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH5, ... | | Authors: | Eerappa, R, Simanshu, D.K, Patel, D.J. | | Deposit date: | 2010-12-15 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6567 Å) | | Cite: | A dual flip-out mechanism for 5mC recognition by the Arabidopsis SUVH5 SRA domain and its impact on DNA methylation and H3K9 dimethylation in vivo.
Genes Dev., 25, 2011
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7RBQ
 | | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-06 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
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