1NS7
 
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6SKS
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2QJS
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5NUN
 | | Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Towrzydlo, M, Lazinskia, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
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1O16
 | | RECOMBINANT SPERM WHALE MYOGLOBIN H64D/V68S/D122N MUTANT (MET) | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Phillips Jr, G.N. | | Deposit date: | 2002-10-25 | | Release date: | 2003-11-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular engineering of myoglobin: influence of residue 68 on the rate and the
enantioselectivity of oxidation reactions catalyzed by H64D/V68X myoglobin
Biochemistry, 42, 2003
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 2024
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8RQO
 | | Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 2024
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4FB9
 | | Structure of mutant RIP from barley seeds | | Descriptor: | Protein synthesis inhibitor I | | Authors: | Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K. | | Deposit date: | 2012-05-22 | | Release date: | 2012-10-31 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism.
Acta Crystallogr.,Sect.D, 68, 2012
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2FYY
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2FZ3
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2FZW
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2ZPI
 | | Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 440min at 293K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ... | | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.491 Å) | | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile
J.Biol.Chem., 283, 2008
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1ZIO
 | | PHOSPHOTRANSFERASE | | Descriptor: | ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Berry, M.B, Phillips Jr, G.N. | | Deposit date: | 1996-06-07 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structures of Bacillus stearothermophilus adenylate kinase with bound Ap5A, Mg2+ Ap5A, and Mn2+ Ap5A reveal an intermediate lid position and six coordinate octahedral geometry for bound Mg2+ and Mn2+.
Proteins, 32, 1998
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5NUM
 | | Engineered beta-lactoglobulin: variant F105L-L39A in complex with chlorpromazine (LG-LA-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, PHOSPHATE ION | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
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1MD4
 | | A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to valine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, pi glutathione transferase | | Authors: | Kong, G.K.-W, Dragani, B, Aceto, A, Cocco, R, Mannervik, B, Stenberg, G, McKinstry, W.J, Polekhina, G, Parker, M.W. | | Deposit date: | 2002-08-06 | | Release date: | 2002-08-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Contribution of Glycine 146 to a Conserved Folding Module Affecting Stability and Refolding of Human Glutathione Transferase P1-1
J.Biol.Chem., 278, 2003
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2ZPB
 | | nitrosylated Fe-type nitrile hydratase | | Descriptor: | FE (III) ION, MAGNESIUM ION, NITRIC OXIDE, ... | | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | | Deposit date: | 2008-07-09 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile
J.Biol.Chem., 283, 2008
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1ZMG
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1RTN
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5HIX
 | | Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer | | Descriptor: | 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid, Dimeric G-quadruplex, POTASSIUM ION | | Authors: | Mandal, P.K, Baptiste, B, Langlois d'Estaintot, B, Kauffmann, B, Huc, I. | | Deposit date: | 2016-01-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Multivalent Interactions between an Aromatic Helical Foldamer and a DNA G-Quadruplex in the Solid State.
Chembiochem, 17, 2016
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5Z97
 | | Crystal structure of a lactonase double mutant in complex with ligand N | | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein, SULFATE ION | | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-02-02 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
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5NUJ
 | | Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP) | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | | Deposit date: | 2017-04-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Int. J. Biol. Macromol., 114, 2018
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1UP2
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with glucose-isofagomine at 1.9 angstrom | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ACETATE ION, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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5NX0
 | | Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at room temperature | | Descriptor: | Endolysin | | Authors: | Gohlke, U, Loll, B, Consentius, P, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | | Deposit date: | 2017-05-09 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Combining EPR spectroscopy and X-ray crystallography to elucidate the structure and dynamics of conformationally constrained spin labels in T4 lysozyme single crystals.
Phys Chem Chem Phys, 19, 2017
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6QI6
 | | Trigonal form of WT recombinant bovine beta-lactoglobulin | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin, ETHANOL | | Authors: | Loch, J.I, Krawczyk, A, Lewinski, K. | | Deposit date: | 2019-01-17 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
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1NIT
 | | CRYSTAL STRUCTURE OF ACONITASE WITH TRANS-ACONITATE AND NITROCITRATE BOUND | | Descriptor: | ACONITASE, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Lauble, H, Kennedy, M.C, Beinert, H, Stout, C.D. | | Deposit date: | 1993-01-17 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of aconitase with trans-aconitate and nitrocitrate bound.
J.Mol.Biol., 237, 1994
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