2FPV
 
 | | Dual binding mode of a novel series of DHODH inhibitors | | Descriptor: | 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ... | | Authors: | Baumgartner, R, Leban, J. | | Deposit date: | 2006-01-17 | | Release date: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
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7VUH
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
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6IEP
 | | GAPDH of Streptococcus agalactiae | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Ponnuraj, K, Nagarajan, R. | | Deposit date: | 2018-09-15 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of GAPDH of Streptococcus agalactiae and characterization of its interaction with extracellular matrix molecules
Microb. Pathog., 127, 2018
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2RFZ
 | | Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotriose | | Descriptor: | Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J. | | Deposit date: | 2007-10-02 | | Release date: | 2008-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding
Protein Sci., 17, 2008
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3ELN
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4KTF
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol | | Descriptor: | 4,4'-(3-amino-1H-pyrazole-4,5-diyl)diphenol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A. | | Deposit date: | 2013-05-20 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
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7VUJ
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
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4OPG
 | | Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase. | | Descriptor: | Conserved Archaeal protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GERANYLGERANYL DIPHOSPHATE, ... | | Authors: | McAndrew, R.P, Kung, Y, Xie, X, Liu, C, Pereira, J.H, Keasling, J.D, Adams, P.D. | | Deposit date: | 2014-02-05 | | Release date: | 2014-07-09 | | Last modified: | 2014-07-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase.
Structure, 22, 2014
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7VUI
 | | Cryo-EM structure of a class A orphan GPCR | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
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6AD5
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5XPE
 | | Neutron structure of the T26H mutant of T4 lysozyme | | Descriptor: | CHLORIDE ION, Endolysin, SODIUM ION | | Authors: | Hiromoto, T, Kuroki, R. | | Deposit date: | 2017-06-01 | | Release date: | 2017-10-04 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.648 Å), X-RAY DIFFRACTION | | Cite: | Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
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2RCL
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 2.4 A resolution | | Descriptor: | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, GLYCEROL, ... | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2007-09-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
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4KET
 | | Crystal structure of SsoPox W263I | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-02 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
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7VD9
 | | 2.29 A structure of the human catalase | | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fan, H.C, Zhang, Y, Sun, F. | | Deposit date: | 2021-09-06 | | Release date: | 2021-12-29 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021
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6ADG
 | | Crystal Structures of IDH1 R132H in complex with AG-881 | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | | Authors: | Ma, R, Yun, C.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
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2FUZ
 | | UGL hexagonal crystal structure without glycine and DTT molecules | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Unsaturated glucuronyl hydrolase | | Authors: | Itoh, T, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2006-01-28 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate recognition by unsaturated glucuronyl hydrolase from Bacillus sp. GL1
Biochem.Biophys.Res.Commun., 344, 2006
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7VUG
 | | Cryo-EM structure of a class A orphan GPCR in complex with Gi | | Descriptor: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide, Chimera of Endo-1,4-beta-xylanase and Probable G-protein coupled receptor 139, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Zhou, Y.L, Wu, L.J. | | Deposit date: | 2021-11-02 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Cell Res., 32, 2022
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6IG6
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6E0F
 | | Mitochondrial peroxiredoxin from Leishmania infantum in complex with unfolding client protein after heat stress | | Descriptor: | mitochondrial 2-cys-peroxiredoxin | | Authors: | Teixeira, F, Tse, E, Makepeace, K.A.T, Borchers, C.H, Castro, H, Tomas, A.M, Poole, L.B, Southworth, D.R, Jakob, U. | | Deposit date: | 2018-07-06 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Chaperone activation and client binding of a 2-cysteine peroxiredoxin.
Nat Commun, 10, 2019
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2RCM
 | | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), cytochrome P450 74A) at 1.73 A Resolution | | Descriptor: | Cytochrome P450 74A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | | Deposit date: | 2007-09-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes.
Nature, 455, 2008
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6I4R
 | | Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | | Authors: | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | Deposit date: | 2018-11-10 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
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6AFB
 | | DJ-1 C106S incubated with isatin | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ... | | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | | Deposit date: | 2018-08-08 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
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4KTZ
 | | Lactococcus phage 67 RuvC | | Descriptor: | MAGNESIUM ION, RuvC endonuclease | | Authors: | Rafferty, J.B, Green, V. | | Deposit date: | 2013-05-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mutants of phage bIL67 RuvC with enhanced Holliday junction binding selectivity and resolution symmetry.
Mol.Microbiol., 89, 2013
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3GTF
 | | D71G/E101G/V235L mutant in organophosphorus hydrolase from Deinococcus radiodurans | | Descriptor: | COBALT (II) ION, Organophosphorus hydrolase | | Authors: | Hawwa, R, Larsen, S, Ratia, K, Mesecar, A. | | Deposit date: | 2009-03-27 | | Release date: | 2009-06-30 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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