5R4J
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, DIMETHYL SULFOXIDE, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5R4L
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000349a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
5R4N
| PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000061a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2020-02-24 | Release date: | 2020-04-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | PanDDA analysis group deposition To Be Published
|
|
1KS9
| Ketopantoate Reductase from Escherichia coli | Descriptor: | 2-DEHYDROPANTOATE 2-REDUCTASE | Authors: | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | Deposit date: | 2002-01-11 | Release date: | 2002-01-25 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism. Biochemistry, 40, 2001
|
|
3GUZ
| Structural and substrate-binding studies of pantothenate synthenate (PS)provide insights into homotropic inhibition by pantoate in PS's | Descriptor: | PANTOATE, Pantothenate synthetase | Authors: | Chakrabarti, K.S, Thakur, K.G, Gopal, B, Sarma, S.P. | Deposit date: | 2009-03-30 | Release date: | 2010-02-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | X-ray crystallographic and NMR studies of pantothenate synthetase provide insights into the mechanism of homotropic inhibition by pantoate Febs J., 277, 2010
|
|
3AG5
| Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus | Descriptor: | Pantothenate synthetase | Authors: | Satoh, A, Konishi, S, Tamura, H, Stickland, H.G, Whitney, H.M, Smith, A.G, Matsumura, H, Inoue, T. | Deposit date: | 2010-03-19 | Release date: | 2010-07-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate-induced closing of the active site revealed by the crystal structure of pantothenate synthetase from Staphylococcus aureus. Biochemistry, 49, 2010
|
|
5KPZ
| PANK3-ADP-PhosphoPantothenate complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
1SUX
| CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI AND 3-(2-benzothiazolylthio)-1-propanesulfonic acid | Descriptor: | 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID, SULFATE ION, Triosephosphate isomerase, ... | Authors: | Tellez-Valencia, A, Olivares-Illana, V, Hernandez-Santoyo, A, Perez-Montfort, R, Costas, M, Rodriguez-Romero, A, Tuena De Gomez-Puyou, M, Gomez-Puyou, A. | Deposit date: | 2004-03-26 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inactivation of triosephosphate isomerase from Trypanosoma cruzi by an agent that perturbs its dimer interface. J.Mol.Biol., 341, 2004
|
|
5KQD
| PANK3:Palmitoyl-CoA complex | Descriptor: | Palmitoyl-CoA, Pantothenate kinase 3, SULFATE ION | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-06 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
2OFP
| Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Ketopantoate reductase, ... | Authors: | Ciulli, A, Chirgadze, D.Y, Smith, A.G, Blundell, T.L, Abell, C. | Deposit date: | 2007-01-04 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Escherichia coli Ketopantoate Reductase in a Ternary Complex with NADP+ and Pantoate Bound: SUBSTRATE RECOGNITION, CONFORMATIONAL CHANGE, AND COOPERATIVITY. J.Biol.Chem., 282, 2007
|
|
8OVE
| |
5KPT
| PANK3-AMPPNP complex | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
5KQ8
| PANK3-AMPPN complex | Descriptor: | 1,2-ETHANEDIOL, AMP PHOSPHORAMIDATE, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2016-07-05 | Release date: | 2016-08-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Allosteric Regulation of Mammalian Pantothenate Kinase. J.Biol.Chem., 291, 2016
|
|
5BRF
| Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor HPOP-GlcN | Descriptor: | 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose, Glucokinase 1, putative | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | Deposit date: | 2015-05-30 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase. Mol.Biochem.Parasitol., 204, 2016
|
|
5AJR
| Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol) | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | Authors: | Wawrzak, Z, Hoekstra, W, I Lepesheva, G. | Deposit date: | 2015-02-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi. Antimicrob.Agents Chemother., 60, 2015
|
|
6V6D
| Cryo-EM structure of human pannexin 1 | Descriptor: | Pannexin-1 | Authors: | Deng, Z, He, Z, Yuan, P. | Deposit date: | 2019-12-05 | Release date: | 2020-04-01 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Cryo-EM structures of the ATP release channel pannexin 1. Nat.Struct.Mol.Biol., 27, 2020
|
|
7RAQ
| |
5LS7
| Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ | Descriptor: | ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ... | Authors: | Monteiro, D.C.F, Webb, M.E, Pearson, A.R. | Deposit date: | 2016-08-22 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan). Biochemistry, 56, 2017
|
|
3QQ3
| Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides | Descriptor: | 9-mer peptide from Neuraminidase, Beta-2-microglobulin, MHC class I antigen | Authors: | Zhang, N, Qi, J, Gao, F, Pan, X, Chen, R, Li, Q, Chen, Z, Li, X, Xia, C, Gao, G.F. | Deposit date: | 2011-02-15 | Release date: | 2011-12-28 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides. J.Virol., 85, 2011
|
|
3QQ4
| Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides | Descriptor: | Beta-2-microglobulin, MHC class I antigen, VP35 | Authors: | Zhang, N, Qi, J, Gao, F, Pan, X, Chen, R, Li, Q, Chen, Z, Li, X, Xia, C, Gao, G.F. | Deposit date: | 2011-02-15 | Release date: | 2011-12-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides. J.Virol., 85, 2011
|
|
6SY7
| Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ... | Authors: | McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D. | Deposit date: | 2019-09-27 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis. Febs J., 287, 2020
|
|
6TBX
| Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor | Descriptor: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ... | Authors: | Landi, G, Tassone, G, Pozzi, C, Mangani, S. | Deposit date: | 2019-11-04 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6DNZ
| Trypanosoma brucei PRMT1 enzyme-prozyme heterotetrameric complex with AdoHcy | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine N-methyltransferase, putative, ... | Authors: | Hashimoto, H, Kafkova, L, Jordan, K, Read, L.K, Debler, E.W. | Deposit date: | 2018-06-08 | Release date: | 2019-06-12 | Last modified: | 2020-02-12 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Structural Basis of Protein Arginine Methyltransferase Activation by a Catalytically Dead Homolog (Prozyme). J.Mol.Biol., 432, 2020
|
|
7Q1P
| Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
7Q1O
| Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | Deposit date: | 2021-10-20 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|