5SEP
 
 | | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(4-cyclopentyl-1-methylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | | Descriptor: | (4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SF8
 | | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide | | Descriptor: | 4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Koerner, M, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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5SFP
 | | Crystal Structure of human phosphodiesterase 10 in complex with N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide | | Descriptor: | (8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Flohr, A, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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2VFD
 | | Crystal structure of the F96S mutant of Plasmodium falciparum triosephosphate isomerase | | Descriptor: | SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2007-11-03 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Biochemical and Structural Characterization of Residue 96 Mutants of Plasmodium Falciparum Triosephosphate Isomerase: Active-Site Loop Conformation, Hydration and Identification of a Dimer-Interface Ligand-Binding Site.
Acta Crystallogr.,Sect.D, 65, 2009
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5C6M
 | | Crystal structure of deoxyribose-phosphate aldolase from Shewanella halifaxensis | | Descriptor: | CHLORIDE ION, Deoxyribose-phosphate aldolase, SODIUM ION | | Authors: | Weiergraeber, O.H, Dick, M, Bramski, J, Pietruszka, J. | | Deposit date: | 2015-06-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
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8D1V
 | | Cryo-EM structure of guide RNA and target RNA bound Cas7-11 | | Descriptor: | CRISPR RNA (34-MER), CRISPR-associated RAMP family protein, SS target RNA (5'-R(P*AP*GP*CP*UP*UP*GP*GP*UP*UP*CP*AP*AP*AP*GP*AP*AP*CP*G)-3'), ... | | Authors: | Rai, J, Goswami, H, Li, H. | | Deposit date: | 2022-05-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Molecular mechanism of active Cas7-11 in processing CRISPR RNA and interfering target RNA.
Elife, 11, 2022
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7PQW
 | | NMR solution structure of BCR4 | | Descriptor: | BCR4 | | Authors: | Loth, K, Paquet, F. | | Deposit date: | 2021-09-20 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Aphid BCR4 Structure and Activity Uncover a New Defensin Peptide Superfamily.
Int J Mol Sci, 23, 2022
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4LRU
 | | Crystal structure of glyoxalase III (Orf 19.251) from Candida albicans | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glyoxalase III (glutathione-independent) | | Authors: | Hasim, S, Hussin, N.A, Nickerson, K.W, Wilson, M.A. | | Deposit date: | 2013-07-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Glutathione-independent Glyoxalase of the DJ-1 Superfamily Plays an Important Role in Managing Metabolically Generated Methylglyoxal in Candida albicans.
J.Biol.Chem., 289, 2014
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2VFH
 | | Crystal structure of the F96W mutant of Plasmodium falciparum triosephosphate isomerase complexed with 3-phosphoglycerate | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2007-11-04 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical and Structural Characterization of Residue 96 Mutants of Plasmodium Falciparum Triosephosphate Isomerase: Active-Site Loop Conformation, Hydration and Identification of a Dimer-Interface Ligand-Binding Site.
Acta Crystallogr.,Sect.D, 65, 2009
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2D1G
 | | Structure of Francisella tularensis Acid Phosphatase A (AcpA) bound to orthovanadate | | Descriptor: | 2-ETHOXYETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DECAVANADATE, ... | | Authors: | Felts, R.L, Reilly, T.J, Tanner, J.J. | | Deposit date: | 2005-08-20 | | Release date: | 2006-08-15 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of Francisella tularensis AcpA: prototype of a unique superfamily of acid phosphatases and phospholipases C
J.Biol.Chem., 281, 2006
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2VFF
 | | Crystal structure of the F96H mutant of Plasmodium falciparum triosephosphate isomerase | | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | | Authors: | Gayathri, P, Banerjee, M, Vijayalakshmi, A, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2007-11-04 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and Structural Characterization of Residue 96 Mutants of Plasmodium Falciparum Triosephosphate Isomerase: Active-Site Loop Conformation, Hydration and Identification of a Dimer-Interface Ligand-Binding Site.
Acta Crystallogr.,Sect.D, 65, 2009
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1LMZ
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2WK1
 | | Structure of the O-methyltransferase NovP | | Descriptor: | 1,2-ETHANEDIOL, NOVP, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gomez Garcia, I, Stevenson, C.E.M, Uson, I, Freel Meyers, C.L, Walsh, C.T, Lawson, D.M. | | Deposit date: | 2009-06-03 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Crystal Structure of the Novobiocin Biosynthetic Enzyme Novp: The First Representative Structure for the Tylf O-Methyltransferase Superfamily.
J.Mol.Biol., 395, 2010
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5C2X
 | | Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (tetragonal form) | | Descriptor: | CARBONATE ION, Deoxyribose-phosphate aldolase, SULFATE ION, ... | | Authors: | Dick, M, Weiergraeber, O.H, Pietruszka, J. | | Deposit date: | 2015-06-16 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
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3FYY
 | | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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1H2F
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5C5Y
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1H2E
 | | BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with phosphate | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATASE, PHOSPHATE ION | | Authors: | Rigden, D.J, Littlejohn, J.E, Jedrzejas, M.J. | | Deposit date: | 2002-08-08 | | Release date: | 2002-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily
J.Mol.Biol., 325, 2003
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3GWK
 | | Structure of the homodimeric WXG-100 family protein from Streptococcus agalactiae | | Descriptor: | Putative uncharacterized protein SAG1039, SULFATE ION | | Authors: | Poulsen, C, Gries, F, Wilmanns, M, Song, Y.H. | | Deposit date: | 2009-04-01 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
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8EOA
 | | Cryo-EM structure of human HSP90B-AIPL1 complex | | Descriptor: | Aryl-hydrocarbon-interacting protein-like 1, Heat shock protein HSP 90-beta, MAGNESIUM ION, ... | | Authors: | Srivastava, D, Artemyev, N.O. | | Deposit date: | 2022-10-02 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
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8EOB
 | | Cryo-EM structure of human HSP90B in the closed state | | Descriptor: | Heat shock protein HSP 90-beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Srivastava, D, Artemyev, N.O. | | Deposit date: | 2022-10-02 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
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7OSB
 | | Crystal Structure of a Double Mutant PETase (S238F/W159H) from Ideonella sakaiensis | | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase, ... | | Authors: | Shakespeare, T.J, Zahn, M, Allen, M.D, McGeehan, J.E. | | Deposit date: | 2021-06-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation.
ChemSusChem, 15, 2022
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2BJF
 | | Crystal Structure of Conjugated Bile Acid Hydrolase from Clostridium perfringens in Complex with Reaction Products Taurine and Deoxycholate | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 2-AMINOETHANESULFONIC ACID, CHOLOYLGLYCINE HYDROLASE, ... | | Authors: | Rossocha, M, Schultz-Heienbrok, R, Von Moeller, H, Coleman, J.P, Saenger, W. | | Deposit date: | 2005-02-02 | | Release date: | 2005-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Conjugated Bile Acid Hydrolase is a Tetrameric N-Terminal Thiol Hydrolase with Specific Recognition of its Cholyl But not of its Tauryl Product
Biochemistry, 44, 2005
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3S48
 | | Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus | | Descriptor: | Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kumar, K.K, Jacques, D.A, Caradoc-Davies, T.T, Guss, J.M, Gell, D.A. | | Deposit date: | 2011-05-19 | | Release date: | 2012-05-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | The structure of alpha-haemoglobin in complex with a haemoglobin-binding domain from Staphylococcus aureus reveals the elusive alpha-haemoglobin dimerization interface
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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2BJG
 | | Crystal Structure of Conjugated Bile Acid Hydrolase from Clostridium perfringens in Complex with Reaction Products Taurine and Deoxycholate | | Descriptor: | 1,2-ETHANEDIOL, CHOLOYLGLYCINE HYDROLASE | | Authors: | Rossocha, M, Schultz-Heienbrok, R, Von Moeller, H, Coleman, J.P, Saenger, W. | | Deposit date: | 2005-02-02 | | Release date: | 2005-05-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conjugated Bile Acid Hydrolase is a Tetrameric N-Terminal Thiol Hydrolase with Specific Recognition of its Cholyl But not of its Tauryl Product
Biochemistry, 44, 2005
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