1Y1U
| Structure of unphosphorylated STAT5a | Descriptor: | Signal transducer and activator of transcription 5A | Authors: | Neculai, D, Neculai, A.M, Verrier, S, Straub, K, Klumpp, K, Pfitzner, E, Becker, S. | Deposit date: | 2004-11-19 | Release date: | 2005-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structure of the unphosphorylated STAT5a dimer J.Biol.Chem., 280, 2005
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4F7B
| Structure of the lysosomal domain of limp-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Neculai, D, Ravichandran, M, Seitova, A, Neculai, M, Pizzaro, J.C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, D, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-15 | Release date: | 2013-10-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of LIMP-2 provides functional insights with implications for SR-BI and CD36. Nature, 504, 2013
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3IV1
| Coiled-coil domain of tumor susceptibility gene 101 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor susceptibility gene 101 protein | Authors: | Neculai, D, Avvakumov, G.V, Wernimont, A.K, Xue, S, Walker, J.R, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-31 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled-Coil Domain of Human Tsg101 To be Published
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5BNH
| Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | Deposit date: | 2015-05-26 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment To Be Published
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3L11
| Crystal Structure of the Ring Domain of RNF168 | Descriptor: | E3 ubiquitin-protein ligase RNF168, MALONATE ION, ZINC ION | Authors: | Neculai, D, Yermekbayeva, L, Crombet, L, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-10 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Molecular insights into the function of RING finger (RNF)-containing proteins hRNF8 and hRNF168 in Ubc13/Mms2-dependent ubiquitylation. J.Biol.Chem., 287, 2012
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3I3T
| Crystal structure of covalent ubiquitin-USP21 complex | Descriptor: | ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 21, ... | Authors: | Neculai, D, Avvakumov, G.V, Walker, J.R, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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3ENC
| Crystal structure of Pyrococcus furiosus PCC1 dimer | Descriptor: | protein PCC1 | Authors: | Neculai, D. | Deposit date: | 2008-09-25 | Release date: | 2008-10-28 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6304 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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3ENH
| Crystal structure of Cgi121/Bud32/Kae1 complex | Descriptor: | HEXATANTALUM DODECABROMIDE, Putative O-sialoglycoprotein endopeptidase, Uncharacterized protein MJ0187 | Authors: | Neculai, D. | Deposit date: | 2008-09-25 | Release date: | 2008-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine Mol.Cell, 32, 2008
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3ENO
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3EN9
| Structure of the Methanococcus jannaschii KAE1-BUD32 fusion protein | Descriptor: | HEXATANTALUM DODECABROMIDE, MAGNESIUM ION, O-sialoglycoprotein endopeptidase/protein kinase | Authors: | Neculai, D. | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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6QPH
| Dunaliella minimal PSI complex | 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: | Klaiman, D, Caspy, I, Nelson, N. | Deposit date: | 2019-02-14 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a minimal photosystem I from the green alga Dunaliella salina. Nat.Plants, 6, 2020
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4K25
| Crystal Structure of yeast Qri7 homodimer | Descriptor: | CALCIUM ION, Probable tRNA threonylcarbamoyladenosine biosynthesis protein QRI7, mitochondrial, ... | Authors: | Neculai, D, Wan, L, Mao, D.Y, Sicheri, F. | Deposit date: | 2013-04-08 | Release date: | 2013-05-08 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Reconstitution and characterization of eukaryotic N6-threonylcarbamoylation of tRNA using a minimal enzyme system. Nucleic Acids Res., 41, 2013
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2P64
| D domain of b-TrCP | Descriptor: | CADMIUM ION, F-box/WD repeat protein 1A | Authors: | Neculai, D, Orlicky, S, Ceccarelli, D. | Deposit date: | 2007-03-16 | Release date: | 2007-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Suprafacial orientation of the SCFCdc4 dimer accommodates multiple geometries for substrate ubiquitination. Cell(Cambridge,Mass.), 129, 2007
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2QGX
| Ubiquitin-conjugating enzyme E2Q | Descriptor: | Ubiquitin-conjugating enzyme E2 Q1 | Authors: | Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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3PDF
| Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, B, Laine, D. | Deposit date: | 2010-10-22 | Release date: | 2011-10-26 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C. Acs Med.Chem.Lett., 2, 2011
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7R3K
| Chlamydomonas reinhardtii TSP9 mutant small Photosystem I complex | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Klaiman, D, Schwartz, T, Nelson, N. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structure of Photosystem I Supercomplex Isolated from a Chlamydomonas reinhardtii Cytochrome b6f Temperature-Sensitive Mutant. Biomolecules, 13, 2023
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2OB4
| Human Ubiquitin-Conjugating Enzyme CDC34 | Descriptor: | Ubiquitin-conjugating enzyme E2-32 kDa complementing | Authors: | Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-18 | Release date: | 2006-12-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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4CIS
| Structure of MutM in complex with carbocyclic 8-oxo-G containing DNA | Descriptor: | (R,R)-2,3-BUTANEDIOL, DNA, FORMAMIDOPYRIMIDIN DNA GLYCOSYLASE, ... | Authors: | Schneider, S, Sadeghian, K, Flaig, D, Blank, I.D, Strasser, R, Stathis, D, Winnacker, M, Carell, T, Ochsenfeld, C. | Deposit date: | 2013-12-15 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ribose-protonated DNA base excision repair: a combined theoretical and experimental study. Angew. Chem. Int. Ed. Engl., 53, 2014
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2K8Y
| Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187 | Descriptor: | Uncharacterized protein MJ0187 | Authors: | Rumpel, S, Fares, C, Neculai, D, Arrowsmith, C, Montelione, G.T, Sicheri, F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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8R2I
| Cryo-EM Structure of native Photosystem II assembly intermediate from Chlamydomonas reinhardtii | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Fadeeva, M, Klaiman, D, Kandiah, E, Nelson, N. | Deposit date: | 2023-11-06 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of native photosystem II assembly intermediate from Chlamydomonas reinhardtii . Front Plant Sci, 14, 2023
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1XA8
| Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ... | Authors: | Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-25 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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1X6M
| Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-11 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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5K5F
| NMR structure of the HLTF HIRAN domain | Descriptor: | Helicase-like transcription factor | Authors: | Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-23 | Release date: | 2016-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the HLTF HIRAN domain To Be Published
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3ENP
| Crystal structure of human cgi121 | Descriptor: | TP53RK-binding protein | Authors: | Haffani, Y.Z, Ceccarelli, D.F, Neculai, D, Mao, D.Y, Sicheri, F. | Deposit date: | 2008-09-25 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atomic structure of the KEOPS complex: an ancient protein kinase-containing molecular machine. Mol.Cell, 32, 2008
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8CMO
| Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp. | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | Authors: | Fadeeva, M, Klaiman, D, Nelson, N. | Deposit date: | 2023-02-20 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp. To Be Published
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