4HEZ
 
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4QUS
 | | 1.28 Angstrom resolution crystal structure of predicted acyltransferase with acyl-CoA N-acyltransferase domain (ypeA) from Escherichia coli str. K-12 substr. MG1655 | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase YpeA, PHOSPHATE ION | | Authors: | Halavaty, A.S, Filippova, E.V, Minasov, G, Flores, K.J, Dubrovska, I, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-11 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | 1.28 Angstrom resolution crystal structure of predicted acyltransferase with acyl-CoA N-acyltransferase domain (ypeA) from Escherichia coli str. K-12 substr. MG1655
To be Published
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3LQ5
 | | Structure of CDK9/CyclinT in complex with S-CR8 | | Descriptor: | (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1 | | Authors: | Hole, A.J, Endicott, J.A, Baumli, S. | | Deposit date: | 2010-02-08 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells
Genes Cancer, 1, 2010
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3LW0
 | | IGF-1RK in complex with ligand MSC1609119A-1 | | Descriptor: | 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide, GLYCEROL, Insulin-like growth factor 1 receptor | | Authors: | Graedler, U, Heinrich, T, Boettcher, H, Blaukat, A, Shutes, A, Askew, B. | | Deposit date: | 2010-02-23 | | Release date: | 2010-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Allosteric IGF-1R Inhibitors.
Acs Med.Chem.Lett., 1, 2010
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6RYF
 | | High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Giastas, P, Stratikos, E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1.
Proc.Natl.Acad.Sci.USA, 2019
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5B72
 | | Crystal structure of bovine lactoperoxidase with a broken covalent bond between Glu258 and heme moiety at 1.98 A resolution. | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution
Biochim. Biophys. Acta, 1865, 2016
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1WPQ
 | | Ternary Complex Of Glycerol 3-phosphate Dehydrogenase 1 with NAD and dihydroxyactone | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, ... | | Authors: | Ou, X, Han, X, Rao, Z. | | Deposit date: | 2004-09-10 | | Release date: | 2006-04-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
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4I52
 | | scMenB im complex with 1-hydroxy-2-naphthoyl-CoA | | Descriptor: | 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase | | Authors: | Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
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5UCN
 | | Class II fructose-1,6-bisphosphate aldolase E142A variant of Helicobacter pylori with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... | | Authors: | Jacques, B, Sygusch, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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5UCP
 | | Class II fructose-1,6-bisphosphate aldolase E142A variant of Helicobacter pylori with FBP and cleavage products | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ... | | Authors: | Jacques, B, Sygusch, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.444 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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4MGE
 | | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PTS system, ... | | Authors: | Minasov, G, Shuvalova, L, Halavaty, A, Winsor, J, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-28 | | Release date: | 2013-09-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom Resolution Crystal Structure of PTS System Cellobiose-specific Transporter Subunit IIB from Bacillus anthracis.
TO BE PUBLISHED
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7FIS
 | | The crystal structure of beta-1,2-mannobiose phosphorylase in complex with mannose 1-phosphate (M1P) | | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, Beta-1,2-mannobiose phosphorylase, GLYCEROL, ... | | Authors: | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-01-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
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1J51
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE | | Descriptor: | 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
J.BIOL.CHEM., 277, 2002
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8JTD
 | | BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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8JTM
 | | CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ... | | Authors: | Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V. | | Deposit date: | 2023-06-22 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (5.14 Å) | | Cite: | An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
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7DE5
 | | Crystal structure of yak lactoperoxidase at 1.55 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, P.K, Viswanathan, V, Sharma, P, Rani, C, Ahmad, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-11-02 | | Release date: | 2020-11-25 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of Yak Lactoperoxidase at 1.55 angstrom Resolution.
Protein J., 40, 2021
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7KH6
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7LNM
 | | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid | | Descriptor: | (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Catlin, D, Zhu, W, Liu, D, Silverman, R. | | Deposit date: | 2021-02-07 | | Release date: | 2021-08-25 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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4ELS
 | | Structure of E. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synthases (MENB) in complex with bicarbonate | | Descriptor: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, BICARBONATE ION, ... | | Authors: | Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-04-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
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4ELX
 | | Structure of apo E.coli. 1,4-dihydroxy-2- naphthoyl CoA synthases with Cl | | Descriptor: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, ... | | Authors: | Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-04-11 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
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1Q0Q
 | | Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate | | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-17 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1CP6
 | | 1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE | | Descriptor: | 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION | | Authors: | Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A. | | Deposit date: | 1999-06-08 | | Release date: | 1999-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Biochemistry, 38, 1999
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4ROX
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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1JKI
 | | myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-DEOXY-GLUCITOL-6-PHOSPHATE, AMMONIUM ION, ... | | Authors: | Stein, A.J, Geiger, J.H. | | Deposit date: | 2001-07-12 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase
J.Biol.Chem., 277, 2002
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