4QSM
 
 | | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid | | Descriptor: | 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | | Authors: | Kolappan, S, Craig, L. | | Deposit date: | 2014-07-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
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2N84
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4GAA
 | | Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION | | Authors: | Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A. | | Deposit date: | 2012-07-25 | | Release date: | 2013-06-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Product formation controlled by substrate dynamics in leukotriene A4 hydrolase.
Biochim.Biophys.Acta, 1844, 2014
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1LD5
 | | STRUCTURE OF BPTI MUTANT A16V | | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | | Authors: | Cierpicki, T, Otlewski, J. | | Deposit date: | 2002-04-08 | | Release date: | 2002-09-11 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.
J.Mol.Biol., 321, 2002
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5OJN
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5OJO
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1LD6
 | | STRUCTURE OF BPTI_8A MUTANT | | Descriptor: | PANCREATIC TRYPSIN INHIBITOR | | Authors: | Cierpicki, T, Otlewski, J. | | Deposit date: | 2002-04-08 | | Release date: | 2002-09-11 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | NMR structures of two variants of bovine pancreatic trypsin inhibitor (BPTI) reveal unexpected influence of mutations on protein structure and stability.
J.Mol.Biol., 321, 2002
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5H88
 | | Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V | | Descriptor: | mRojoA fluorescent protein | | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | | Deposit date: | 2015-12-23 | | Release date: | 2016-01-27 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
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7JY5
 | | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
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5H89
 | | Crystal structure of mRojoA mutant - T16V - P63Y - W143G - L163V | | Descriptor: | mRojoA fluorescent protein | | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | | Deposit date: | 2015-12-23 | | Release date: | 2016-01-27 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
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5H87
 | | Crystal structure of mRojoA mutant - P63H - W143S | | Descriptor: | mRojoA fluorescent protein | | Authors: | Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F. | | Deposit date: | 2015-12-23 | | Release date: | 2016-01-27 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
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4LWO
 | | Crystal structure of PRMT6 | | Descriptor: | Arginine N-methyltransferase, putative | | Authors: | Zhu, Y, Wang, C, Shi, Y, Teng, M. | | Deposit date: | 2013-07-28 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
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4LSM
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4LWP
 | | Crystal structure of PRMT6-SAH | | Descriptor: | Arginine N-methyltransferase, putative, IODIDE ION, ... | | Authors: | Zhu, Y, Wang, C, Shi, Y, Teng, M. | | Deposit date: | 2013-07-28 | | Release date: | 2014-02-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.353 Å) | | Cite: | Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
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3I3G
 | | Crystal Structure of Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A | | Descriptor: | N-acetyltransferase | | Authors: | Qiu, W, Wernimont, A.K, Marino, K, Zhang, A.Z, Ma, D, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, J Ferguson, M.A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal Structure Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A
To be Published
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2X9V
 | | High resolution structure of TbPTR1 with trimetrexate | | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE, ... | | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | | Deposit date: | 2010-03-24 | | Release date: | 2010-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
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2X9G
 | | High resolution structure of TbPTR1 in complex with Pemetrexed | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dawson, A, Barrack, K.L, Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2010-03-18 | | Release date: | 2010-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
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5AFX
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238 | | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Authors: | Yang, G, Oldfield, E, No, J.H. | | Deposit date: | 2015-01-27 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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5AHU
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326 | | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ... | | Authors: | Yang, G, Oldfield, E, No, J.H. | | Deposit date: | 2015-02-09 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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5AEL
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | | Authors: | Yang, G, Oldfield, E, No, J.H. | | Deposit date: | 2014-12-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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7FQT
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000293a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-19 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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7FQV
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000847b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-19 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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7FRP
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000245b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-24 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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7FRT
 | | PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster 1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-26 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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7FQM
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000619a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | | Deposit date: | 2022-10-19 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B.
Elife, 12, 2023
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