7LTL
 
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7LTO
 | | Nse5-6 complex | | Descriptor: | Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera | | Authors: | Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L. | | Deposit date: | 2021-02-19 | | Release date: | 2021-05-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Integrative analysis reveals unique structural and functional features of the Smc5/6 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KPD
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7LHC
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2HXM
 | | Complex of UNG2 and a small Molecule synthetic Inhibitor | | Descriptor: | 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID, Uracil-DNA glycosylase | | Authors: | Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T. | | Deposit date: | 2006-08-03 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mimicking damaged DNA with a small molecule inhibitor of human UNG2.
Nucleic Acids Res., 34, 2006
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7MOY
 | | Structure of HDAC2 in complex with an inhibitor (compound 19) | | Descriptor: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MOT
 | | Structure of HDAC2 in complex with an inhibitor (compound 9) | | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MOS
 | | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | | Descriptor: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MOX
 | | Structure of HDAC2 in complex with an inhibitor (compound 14) | | Descriptor: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MOZ
 | | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | | Descriptor: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2021-05-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
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7MEJ
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7MDW
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7ME7
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7MFT
 | | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex (GudB6-GltA6-GltB6) | | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2021-04-11 | | Release date: | 2022-01-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
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7MFM
 | | Glutamate synthase, glutamate dehydrogenase counter-enzyme complex | | Descriptor: | FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Jayaraman, V, Lee, D.J, Elad, N, Fraser, J.S, Tawfik, D.S. | | Deposit date: | 2021-04-10 | | Release date: | 2022-01-05 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | A counter-enzyme complex regulates glutamate metabolism in Bacillus subtilis.
Nat.Chem.Biol., 18, 2022
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7MKK
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2JZ4
 | | Putative 32 kDa myrosinase binding protein At3g16450.1 from Arabidopsis thaliana | | Descriptor: | Jasmonate inducible protein isolog | | Authors: | Takeda, N, Sugimori, N, Torizawa, T, Terauchi, T, Ono, A.M, Yagi, H, Yamaguchi, Y, Kato, K, Ikeya, T, Guntert, P, Aceti, D.J, Markley, J.L, Kainosho, M, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-12-28 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR.
Febs J., 275, 2008
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3LLE
 | | X-ray structure of bovine SC0322,Ca(2+)-S100B | | Descriptor: | 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B | | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | | Deposit date: | 2010-01-28 | | Release date: | 2010-12-29 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int.J.High Throughput Screen, 2010, 2010
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8QPZ
 | | CryoEM structure of recombinant DeltaN7 alpha-synuclein in PBS | | Descriptor: | Alpha-synuclein | | Authors: | Thacker, D, Wilkinson, M, Dewison, K.M, Ranson, N.A, Brockwell, D.J, Radford, S.E. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Residues 2 to 7 of alpha-synuclein regulate amyloid formation via lipid-dependent and lipid-independent pathways.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4Z6H
 | | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-04-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3LPY
 | | Crystal structure of the RRM domain of CyP33 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peptidyl-prolyl cis-trans isomerase E, SULFATE ION | | Authors: | Wang, Z, Patel, D.J. | | Deposit date: | 2010-02-07 | | Release date: | 2010-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
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1J77
 | | Crystal Structure of Gram-negative Bacterial Heme Oxygenase Complexed with Heme | | Descriptor: | HemO, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Schuller, D.J, Zhu, W, Stojiljkovic, I, Wilks, A, Poulos, T.L. | | Deposit date: | 2001-05-15 | | Release date: | 2001-05-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of heme oxygenase from the gram-negative pathogen Neisseria meningitidis and a comparison with mammalian heme oxygenase-1.
Biochemistry, 40, 2001
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1IFT
 | | RICIN A-CHAIN (RECOMBINANT) | | Descriptor: | RICIN | | Authors: | Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A. | | Deposit date: | 1996-07-05 | | Release date: | 1998-01-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | Descriptor: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | Authors: | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
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3LQH
 | | Crystal structure of MLL1 PHD3-Bromo in the free form | | Descriptor: | Histone-lysine N-methyltransferase MLL, ZINC ION | | Authors: | Wang, Z, Patel, D.J. | | Deposit date: | 2010-02-09 | | Release date: | 2010-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
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