4HHB
 
 | |
4KVI
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolin-1-ium | | Descriptor: | (4aS,7S)-4a-methyl-7-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydroquinolinium, Aristolochene synthase, MAGNESIUM ION, ... | | Authors: | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | Deposit date: | 2013-05-22 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
|
|
7QYZ
 | | Crystal structure of a DyP-type peroxidase 6E10 variant from Pseudomonas putida | | Descriptor: | Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Silva, D, Martins, L.O, Frazao, C. | | Deposit date: | 2022-01-30 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.452 Å) | | Cite: | Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
|
|
5FII
 | | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
|
|
1P4X
 | | Crystal structure of SarS protein from Staphylococcus Aureus | | Descriptor: | staphylococcal accessory regulator A homologue | | Authors: | Li, R, Manna, A.C, Dai, S, Cheung, A.L, Zhang, G. | | Deposit date: | 2003-04-24 | | Release date: | 2003-07-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the SarS protein from Staphylococcus aureus
J.BACTERIOL., 185, 2003
|
|
2ZO3
 | | Bisphenylic Thrombin Inhibitors | | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-05-05 | | Release date: | 2009-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
|
|
4KXP
 | | Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant I10D in T-state | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Iancu, C.V, Mukund, S, Choe, J.-Y, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2013-05-27 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanism of Displacement of a Catalytically Essential Loop from the Active Site of Mammalian Fructose-1,6-bisphosphatase.
Biochemistry, 52, 2013
|
|
3GAI
 | | Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ... | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2009-02-17 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
|
|
2ZP9
 | | The Nature of the TRAP:Anti-TRAP complex | | Descriptor: | TRYPTOPHAN, Transcription attenuation protein mtrB, Tryptophan RNA-binding attenuator protein-inhibitory protein, ... | | Authors: | Watanabe, M, Heddle, J.G, Unzai, S, Akashi, S, Park, S.Y, Tame, J.R.H. | | Deposit date: | 2008-07-08 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The nature of the TRAP-Anti-TRAP complex.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7RK7
 | | The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | | Authors: | Singh, N.K, Davancaze, L.M, Arbuiso, A, Weiss, L.I, Keller, G.L.J, Baker, B.M. | | Deposit date: | 2021-07-22 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | The complex between TIL 1383i TCR and human Class I MHC HLA-A2 with the bound Tyrosinase(369-377)(N371D) nonameric peptide
To Be Published
|
|
4KY8
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, methotrexate, FdUMP and 4-((2-amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)thio)-2-chlorophenyl)-L-glutamic acid | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional thymidylate synthase-dihydrofolate reductase, METHOTREXATE, ... | | Authors: | Kumar, V.P, Anderson, K.S. | | Deposit date: | 2013-05-28 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.084 Å) | | Cite: | Substituted pyrrolo[2,3-d]pyrimidines as Cryptosporidium hominis thymidylate synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
5FN0
 | | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | | Authors: | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
|
|
5FVV
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine | | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-02-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
|
|
1OLX
 | | Roles of His291-alpha and His146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, GLYCEROL, ... | | Authors: | Wynn, R.M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2003-08-18 | | Release date: | 2003-08-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Roles of His291-Alpha and His146-Beta' in the Reductive Acylation Reaction Catalyzed by Human Branched-Chain Alpha-Ketoacid Dehydrogenase: Refined Phosphorylation Loop Structure in the Active Site.
J.Biol.Chem., 278, 2003
|
|
5AVM
 | | Crystal structures of 5-aminoimidazole ribonucleotide (AIR) synthetase, PurM, from Thermus thermophilus | | Descriptor: | Phosphoribosylformylglycinamidine cyclo-ligase, SULFATE ION | | Authors: | Kanagawa, M, Baba, S, Watanabe, Y, Nakagawa, N, Ebihara, A, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2015-06-23 | | Release date: | 2015-11-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures and ligand binding of PurM proteins from Thermus thermophilus and Geobacillus kaustophilus
J.Biochem., 159, 2016
|
|
4L57
 | | High resolutin structure of human cytosolic 5'(3')-deoxyribonucleotidase | | Descriptor: | 5'(3')-deoxyribonucleotidase, cytosolic type, GLYCEROL, ... | | Authors: | Pachl, P, Brynda, J, Rezacova, P. | | Deposit date: | 2013-06-10 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
|
|
4GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | | Authors: | Oakley, A, Rossjohn, J, Parker, M. | | Deposit date: | 1997-01-20 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
|
|
8W21
 | |
4L5N
 | | Crystallographic Structure of HHV-1 Uracil-DNA Glycosylase complexed with the Bacillus phage PZA inhibitor protein p56 | | Descriptor: | ACETATE ION, Early protein GP1B, Uracil-DNA glycosylase | | Authors: | Cole, A.R, Sapir, O, Ryzhenkova, K, Baltulionis, G, Hornyak, P, Savva, R. | | Deposit date: | 2013-06-11 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Architecturally diverse proteins converge on an analogous mechanism to inactivate Uracil-DNA glycosylase.
Nucleic Acids Res., 41, 2013
|
|
1OV7
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | | Descriptor: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-25 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
|
|
7LA5
 | | Structure of human GGT1 in complex with Lnt1-172 compound. | | Descriptor: | (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Terzyan, S.S, Hanigan, M, Nguen, L. | | Deposit date: | 2021-01-05 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of human GGT1 in complex with Lnt1-172 compound.
To Be Published
|
|
5G1F
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A | | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2016-03-25 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
To be Published
|
|
5G38
 | | PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | | Deposit date: | 2016-04-24 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
|
|
7LBK
 | |
7R0X
 | |
