7SI1
 
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4Z6I
 | | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, 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 (1.95 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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1K9C
 | | Solution Structure of Calreticulin P-domain subdomain (residues 189-261) | | Descriptor: | CALRETICULIN | | Authors: | Ellgaard, L, Bettendorff, P, Braun, D, Herrmann, T, Fiorito, F, Guntert, P, Helenius, A, Wuthrich, K. | | Deposit date: | 2001-10-29 | | Release date: | 2002-10-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of 36 and 73-residue Fragments of the Calreticulin P-domain
J.Mol.Biol., 322, 2002
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6LOU
 | | Crystal structure of DUSP22 mutant_C88S/S93N | | Descriptor: | Dual specificity protein phosphatase 22, PHOSPHATE ION | | Authors: | Lai, C.H, Lyu, P.C. | | Deposit date: | 2020-01-07 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5301 Å) | | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases.
Int J Mol Sci, 21, 2020
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8C8D
 | | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | | Descriptor: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
To Be Published
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6LVQ
 | | Crystal structure of DUSP22_VO4 | | Descriptor: | Dual specificity protein phosphatase 22, VANADATE ION | | Authors: | Lai, C.H, Lyu, P.C. | | Deposit date: | 2020-02-04 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases.
Int J Mol Sci, 21, 2020
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5NA5
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-02-27 | | Release date: | 2017-06-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
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6EB4
 | | OhrB (Organic Hydroperoxide Resistance protein) from Chromobacterium violaceum | | Descriptor: | DI(HYDROXYETHYL)ETHER, Organic hydroperoxide resistance protein | | Authors: | Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S. | | Deposit date: | 2018-08-04 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
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8PMR
 | | NADase from Aspergillus fumigatus with mutated calcium binding motif (D219A/E220A) | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M. | | Deposit date: | 2023-06-29 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Calcium-Binding Motif Stabilizes and Increases the Activity of Aspergillus fumigatus Ecto-NADase.
Biochemistry, 62, 2023
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1PI1
 | | Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways. | | Descriptor: | Mob1A, ZINC ION | | Authors: | Stavridi, E.S, Harris, K.G, Huyen, Y, Bothos, J, Voewerd, P.M, Stayrook, S.E, Jeffrey, P.D, Pavletich, N.P, Luca, F.C. | | Deposit date: | 2003-05-29 | | Release date: | 2003-09-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a human mob1 protein. Toward understanding mob-regulated cell cycle pathways.
Structure, 11, 2003
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1K91
 | | Solution Structure of Calreticulin P-domain subdomain (residues 221-256) | | Descriptor: | CALRETICULIN | | Authors: | Ellgaard, L, Bettendorff, P, Braun, D, Herrmann, T, Fiorito, F, Guntert, P, Helenius, A, Wuthrich, K. | | Deposit date: | 2001-10-26 | | Release date: | 2002-10-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of 36 and 73-residue Fragments of the Calreticulin P-domain
J.Mol.Biol., 322, 2002
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1WFC
 | | STRUCTURE OF APO, UNPHOSPHORYLATED, P38 MITOGEN ACTIVATED PROTEIN KINASE P38 (P38 MAP KINASE) THE MAMMALIAN HOMOLOGUE OF THE YEAST HOG1 PROTEIN | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE P38 | | Authors: | Wilson, K.P, Fitzgibbon, M.J, Caron, P.R, Griffith, J.P, Chen, W, Mccaffrey, P.G, Chambers, S.P, Su, M.S.-S. | | Deposit date: | 1996-09-13 | | Release date: | 1997-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of p38 mitogen-activated protein kinase.
J.Biol.Chem., 271, 1996
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2UUE
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | Descriptor: | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | Deposit date: | 2007-03-02 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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8CCT
 | | Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A | | Descriptor: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Derosa, Q, Grimaldi, M, Carivenc, C, Boulahtouf, A, Bourguet, W, Balaguer, P. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the hPXR-LBD in complex with 2,2'-dichloro bisphenol A
To Be Published
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6M0B
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5FAL
 | | Crystal structure of PvHCT in complex with CoA and p-coumaroyl-shikimate | | Descriptor: | (3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid, COENZYME A, GLYCEROL, ... | | Authors: | Pereira, J.H, Moriarty, N.W, Eudes, A, Yogiswara, S, Wang, G, Benites, V.T, Baidoo, E.E.K, Lee, T.S, Keasling, J.D, Loque, D, Adams, P.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Exploiting the Substrate Promiscuity of Hydroxycinnamoyl-CoA:Shikimate Hydroxycinnamoyl Transferase to Reduce Lignin.
Plant Cell.Physiol., 57, 2016
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6RLM
 | | Crystal structure of AT1412dm Fab fragment | | Descriptor: | AT1412dm Fab (Heavy Chain), AT1412dm Fab (Light Chain), CHLORIDE ION | | Authors: | Neviani, V, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | | Deposit date: | 2019-05-02 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of a homo-dimerization site in tetraspanin CD9 targeted by a melanoma patient-derived antibody
To Be Published
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2INT
 | | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4 | | Descriptor: | INTERLEUKIN-4 | | Authors: | Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E. | | Deposit date: | 1993-07-22 | | Release date: | 1994-01-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of recombinant human interleukin-4.
J.Biol.Chem., 267, 1992
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2UUA
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL with cmo5U in position 34 bound to an mRNA with a GUC-codon in the A-site and paromomycin. | | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Weixlbaumer, A, Murphy, F.V, Dziergowska, A, Malkiewicz, A, Vendeix, F.A.P, Agris, P.F, Ramakrishnan, V. | | Deposit date: | 2007-03-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanism for expanding the decoding capacity of transfer RNAs by modification of uridines.
Nat. Struct. Mol. Biol., 14, 2007
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6RLO
 | | Crystal structure of AT1412dm Fab fragment in complex with CD9 large extracellular loop | | Descriptor: | AT1412dm Fab Fragment (Heavy Chain), AT1412dm Fab Fragment (Light Chain), CD9 antigen, ... | | Authors: | Neviani, V, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | | Deposit date: | 2019-05-02 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of a homo-dimerization site in tetraspanin CD9 targeted by a melanoma patient-derived antibody
To Be Published
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6S7J
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4QGD
 | | Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-05-22 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
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2UU9
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a Valine-ASL with cmo5U in position 34 bound to an mRNA with a GUG-codon in the A-site and paromomycin. | | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Weixlbaumer, A, Murphy, F.V, Dziergowska, A, Malkiewicz, A, Vendeix, F.A.P, Agris, P.F, Ramakrishnan, V. | | Deposit date: | 2007-03-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanism for expanding the decoding capacity of transfer RNAs by modification of uridines.
Nat. Struct. Mol. Biol., 14, 2007
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6JAP
 | | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein R356A in complex with sucrose | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-24 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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6Y8B
 | | 14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-03-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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