4N1M
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4N1N
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4KRZ
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![BU of 4krz by Molmil](/molmil-images/mine/4krz) | Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi | Descriptor: | GLYCEROL, POTASSIUM ION, Pyruvate kinase | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-05-17 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies. R Soc Open Sci, 1, 2014
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4KS0
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![BU of 4ks0 by Molmil](/molmil-images/mine/4ks0) | Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | Authors: | Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-05-17 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies. R Soc Open Sci, 1, 2014
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1KSS
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![BU of 1kss by Molmil](/molmil-images/mine/1kss) | Crystal Structure of His505Ala Mutant Flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pankhurst, K.L, Mowat, C.G, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2002-01-14 | Release date: | 2002-08-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of His505 in the soluble fumarate reductase from Shewanella frigidimarina. Biochemistry, 41, 2002
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5NOR
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![BU of 5nor by Molmil](/molmil-images/mine/5nor) | Structure of cyclophilin A in complex with 3-methylpyridin-2-amine | Descriptor: | 3-methylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOY
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![BU of 5noy by Molmil](/molmil-images/mine/5noy) | Structure of cyclophilin A in complex with 3,4-diaminobenzamide | Descriptor: | 3,4-bis(azanyl)benzamide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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3C2I
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![BU of 3c2i by Molmil](/molmil-images/mine/3c2i) | The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF | Descriptor: | DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2 | Authors: | Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D. | Deposit date: | 2008-01-25 | Release date: | 2008-05-13 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MeCP2 binding to DNA depends upon hydration at methyl-CpG Mol.Cell, 29, 2008
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5NOZ
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![BU of 5noz by Molmil](/molmil-images/mine/5noz) | Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide | Descriptor: | 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOT
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![BU of 5not by Molmil](/molmil-images/mine/5not) | Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine | Descriptor: | 4-chloranylpyrimidin-5-amine, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOX
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![BU of 5nox by Molmil](/molmil-images/mine/5nox) | Structure of cyclophilin A in complex with 2-chloropyridin-3-amine | Descriptor: | 2-chloranylpyridin-3-amine, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOQ
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![BU of 5noq by Molmil](/molmil-images/mine/5noq) | Structure of cyclophilin A in complex with 3-chloropyridin-2-amine | Descriptor: | 3-chloranylpyridin-2-amine, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOU
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![BU of 5nou by Molmil](/molmil-images/mine/5nou) | Structure of cyclophilin A in complex with hexahydropyrimidin-2-one | Descriptor: | 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOS
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![BU of 5nos by Molmil](/molmil-images/mine/5nos) | Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one | Descriptor: | 5-azanyl-3~{H}-pyridin-6-one, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOV
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![BU of 5nov by Molmil](/molmil-images/mine/5nov) | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | Descriptor: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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2WJ9
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![BU of 2wj9 by Molmil](/molmil-images/mine/2wj9) | ArdB | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Weikart, N.D, Roberts, G, Johnson, K.A, Oke, M, Cooper, L.P, McMahon, S.A, White, J.H, Liu, H, Carter, L.G, Walkinshaw, M.D, Blakely, G.W, Naismith, J.H, Dryden, D.T.F. | Deposit date: | 2009-05-25 | Release date: | 2010-08-18 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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3E0W
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5NOW
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![BU of 5now by Molmil](/molmil-images/mine/5now) | Structure of cyclophilin A in complex with pyridine-3,4-diamine | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, pyridine-3,4-diamine | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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1YIL
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![BU of 1yil by Molmil](/molmil-images/mine/1yil) | Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | Descriptor: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2005-01-12 | Release date: | 2005-02-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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6GG5
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![BU of 6gg5 by Molmil](/molmil-images/mine/6gg5) | Crystal structure of M2 PYK in complex with Tryptophan. | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Pyruvate kinase PKM, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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6GG6
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![BU of 6gg6 by Molmil](/molmil-images/mine/6gg6) | Crystal structure of M2 PYK in complex with Serine. | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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6GG3
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6GG4
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![BU of 6gg4 by Molmil](/molmil-images/mine/6gg4) | Crystal structure of M2 PYK in complex with Phenyalanine. | Descriptor: | PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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1CYN
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5OFU
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![BU of 5ofu by Molmil](/molmil-images/mine/5ofu) | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2017-07-11 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition. J. Mol. Biol., 429, 2017
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