2VLU
 
 | | Crystal structure of barley thioredoxin h isoform 2 in partially radiation-reduced state | | Descriptor: | THIOREDOXIN H ISOFORM 2. | | Authors: | Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A. | | Deposit date: | 2008-01-16 | | Release date: | 2008-04-29 | | Last modified: | 2017-07-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
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6IMO
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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2J40
 | | 1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound inhibitor L-proline and NAD. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | | Authors: | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | | Deposit date: | 2006-08-24 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Ternary Complex of Delta1-Pyrroline-5-Carboxylate Dehydrogenase with Substrate Mimic and Co-Factoer
To be Published
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6FQE
 | | Phosphotriesterase PTE_A53_4 | | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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6BDX
 | | 4-hydroxy tetrahydrodipicolinate reductase from Neisseria gonorrhoeae | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION | | Authors: | Pote, S.S, Pye, S.E, Sheahan, T.E, Chruszcz, M. | | Deposit date: | 2017-10-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 4-Hydroxy-tetrahydrodipicolinate reductase from Neisseria gonorrhoeae - structure and interactions with coenzymes and substrate analog.
Biochem. Biophys. Res. Commun., 503, 2018
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3D4S
 | | Cholesterol bound form of human beta2 adrenergic receptor. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, Beta-2 adrenergic receptor/T4-lysozyme chimera, ... | | Authors: | Hanson, M.A, Cherezov, V, Roth, C.B, Griffith, M.T, Jaakola, V.-P, Chien, E.Y.T, Velasquez, J, Kuhn, P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2008-05-14 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A specific cholesterol binding site is established by the 2.8 A structure of the human beta2-adrenergic receptor.
Structure, 16, 2008
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4RIC
 | | FAN1 Nuclease bound to 5' hydroxyl (dT-dT) single flap DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*CP*CP*AP*CP*GP*CP*CP*TP*AP*GP*AP*CP*TP*CP*CP*TP*C)-3'), ... | | Authors: | Pavletich, N.P, Wang, R. | | Deposit date: | 2014-10-05 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
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5WW8
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4LGV
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6IDJ
 | | Crystal structure of human DHODH in complex with ferulenol | | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | | Deposit date: | 2018-09-10 | | Release date: | 2019-09-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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4RI9
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3K4J
 | | Pyranose 2-oxidase H450Q mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase | | Authors: | Divne, C, Tan, T.C. | | Deposit date: | 2009-10-05 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase.
Febs J., 277, 2010
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4LCJ
 | | CtBP2 in complex with substrate MTOB | | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | | Deposit date: | 2013-06-21 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Febs Lett., 588, 2014
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6IED
 | | Crystal structure of heme A synthase from Bacillus subtilis | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Heme A synthase, ... | | Authors: | Niwa, S, Takeda, K, Kosugi, M, Tsutsumi, E, Miki, K. | | Deposit date: | 2018-09-13 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of heme A synthase fromBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2J77
 | | Beta-glucosidase from Thermotoga maritima in complex with deoxynojirimycin | | Descriptor: | 1-DEOXYNOJIRIMYCIN, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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7QQ7
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4LHW
 | | Crystal structure of Rab8 in its active GppNHp-bound form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | | Deposit date: | 2013-07-01 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB.
J.Biol.Chem., 288, 2013
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4RIB
 | | FAN1 Nuclease bound to 5' phosphorylated p(dT) single flap DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*GP*GP*AP*GP*TP*CP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*GP*AP*GP*GP*CP*GP*TP*G)-3'), ... | | Authors: | Pavletich, N.P, Wang, R. | | Deposit date: | 2014-10-05 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | DNA repair. Mechanism of DNA interstrand cross-link processing by repair nuclease FAN1.
Science, 346, 2014
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2J5N
 | | 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS THERMOPHIRUS WITH BOUND INHIBITOR GLYCINE AND NAD. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | | Authors: | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | | Deposit date: | 2006-09-19 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal Structure of Ternary Complex of Delta1-Pyrroline-5-Carboxylate Dehydrogenase with Substrate Mimic and Co-Factoer
To be Published
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5WZN
 | | Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - GalNAc complex | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Alpha-N-acetylgalactosaminidase, CALCIUM ION, ... | | Authors: | Sato, M, Arakawa, T, Ashida, H, Fushinobu, S. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
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6FWJ
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose | | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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6IHD
 | | Crystal structure of Malate dehydrogenase from Metallosphaera sedula | | Descriptor: | 2-ETHOXYETHANOL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lee, D, Kim, K.J. | | Deposit date: | 2018-09-29 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and biochemical characterization of malate dehydrogenase from Metallosphaera sedula
Biochem. Biophys. Res. Commun., 509, 2019
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2J7B
 | | Beta-glucosidase from Thermotoga maritima in complex with gluco- tetrazole | | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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7X7L
 | | Crystal structure of ZmHPPD-Y13161 complex | | Descriptor: | 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.-Y, Dong, J, Yang, G.-F. | | Deposit date: | 2022-03-09 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.887 Å) | | Cite: | Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Adv Agrochem, 2022
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