7CLK
 
 | | Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate | | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | | Deposit date: | 2020-07-21 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
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5GUW
 | | Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa | | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | | Authors: | Terasaka, E, Sugimoto, H, Shiro, Y, Tosha, T. | | Deposit date: | 2016-08-31 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Dynamics of nitric oxide controlled by protein complex in bacterial system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5URB
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4YTU
 | | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with L-erythrulose | | Descriptor: | D-tagatose 3-epimerase, L-Erythrulose, MANGANESE (II) ION | | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | | Deposit date: | 2015-03-18 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
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4K88
 | | Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form) | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Proline--tRNA ligase, ZINC ION | | Authors: | Hwang, K.Y, Son, J.H, Lee, E.H. | | Deposit date: | 2013-04-18 | | Release date: | 2013-10-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.619 Å) | | Cite: | Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone.
Acta Crystallogr.,Sect.D, 69, 2013
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4YW1
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with 3'SL | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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2DW7
 | | Crystal structure of D-tartrate dehydratase from Bradyrhizobium japonicum complexed with Mg++ and meso-tartrate | | Descriptor: | Bll6730 protein, MAGNESIUM ION, S,R MESO-TARTARIC ACID | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-07 | | Release date: | 2006-12-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: d-Tartrate Dehydratase from Bradyrhizobium japonicum
Biochemistry, 45, 2006
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5OIC
 | | InhA (T2A mutant) complexed with (4-((1H-pyrazol-1-yl)methyl)phenyl)methanol | | Descriptor: | 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Convery, M.A. | | Deposit date: | 2017-07-18 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5OIO
 | | InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine | | Descriptor: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Convery, M.A. | | Deposit date: | 2017-07-19 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
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5VAD
 | | Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor | | Descriptor: | 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | | Authors: | Okada, K, Skene, R.J. | | Deposit date: | 2017-03-24 | | Release date: | 2017-05-31 | | Last modified: | 2017-06-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline.
Biochem. Biophys. Res. Commun., 488, 2017
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4GIG
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5V59
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2VNZ
 | | Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A. | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
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2VNX
 | | Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
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4JKI
 | | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP | | Descriptor: | 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2013-03-09 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
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2IOH
 | | Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | | Deposit date: | 2006-10-10 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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7E14
 | | Compound2_GLP-1R_OWL833_Gs complex structure | | Descriptor: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ... | | Authors: | Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W. | | Deposit date: | 2021-01-30 | | Release date: | 2021-07-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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2OBS
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7DUQ
 | | Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex | | Descriptor: | CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | | Authors: | Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | | Deposit date: | 2021-01-11 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
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5HCV
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3JYJ
 | | Structure-Based Design of Novel PIN1 Inhibitors (II) | | Descriptor: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Greasley, S.E, Ferre, R.A. | | Deposit date: | 2009-09-21 | | Release date: | 2010-04-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
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6C5X
 | | Crystal Structure of SOCS1 in complex with ElonginB and ElonginC | | Descriptor: | Elongin-B, Elongin-C, GP130 peptide fragment, ... | | Authors: | Kershaw, N.J, Laktyushin, A, Babon, J.J. | | Deposit date: | 2018-01-17 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.105 Å) | | Cite: | The molecular basis of JAK/STAT inhibition by SOCS1.
Nat Commun, 9, 2018
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8FAL
 | | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | | Descriptor: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Kohlbrand, A.J, Seo, H. | | Deposit date: | 2022-11-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
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8FAU
 | | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione | | Descriptor: | 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ... | | Authors: | Kohlbrand, A.J, Seo, H. | | Deposit date: | 2022-11-28 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
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8FDQ
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