5A0E
 
 | | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | | Deposit date: | 2015-04-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
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8OW2
 | | Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | | Descriptor: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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7PG5
 | | Crystal Structure of PI3Kalpha | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.20029068 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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7PG6
 | | Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | Deposit date: | 2021-08-13 | | Release date: | 2022-08-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49943733 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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8BFU
 | | Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | Deposit date: | 2022-10-26 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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6FMF
 | | Neuropilin-1 b1 domain in complex with EG01377; 2.8 Angstrom structure | | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1, trifluoroacetic acid | | Authors: | Yelland, T, Djordjevic, S, Selwood, D, Zachary, I, Frankel, P. | | Deposit date: | 2018-01-31 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.811 Å) | | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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6FMC
 | | Neuropilin1-b1 domain in complex with EG01377, 0.9 Angstrom structure | | Descriptor: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid, Neuropilin-1 | | Authors: | Yelland, T, Djordjevic, S, Fotinou, K, Selwood, D, Zachary, I, Frankel, P. | | Deposit date: | 2018-01-30 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Small Molecule Neuropilin-1 Antagonists Combine Antiangiogenic and Antitumor Activity with Immune Modulation through Reduction of Transforming Growth Factor Beta (TGF beta ) Production in Regulatory T-Cells.
J. Med. Chem., 61, 2018
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5L9A
 | | L-threonine dehydrogenase from trypanosoma brucei. | | Descriptor: | ACETATE ION, L-threonine 3-dehydrogenase | | Authors: | Erskine, P.T, Cooper, J.B, Adjogatse, E, Kelly, J, Wood, S.P. | | Deposit date: | 2016-06-09 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5LC1
 | | L-threonine dehydrogenase from Trypanosoma brucei with NAD and the inhibitor pyruvate bound. | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, L-threonine 3-dehydrogenase, ... | | Authors: | Erskine, P.T, Adjogatse, E, Wood, S.P, Cooper, J.B. | | Deposit date: | 2016-06-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5LDE
 | | Crystal structure of a vFLIP-IKKgamma stapled peptide dimer | | Descriptor: | Immunoglobulin G-binding protein G,Viral FLICE protein, Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, ... | | Authors: | Barrett, T. | | Deposit date: | 2016-06-24 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.38 Å) | | Cite: | IKK gamma-Mimetic Peptides Block the Resistance to Apoptosis Associated with Kaposi's Sarcoma-Associated Herpesvirus Infection.
J. Virol., 91, 2017
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5IJR
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-1 ligand. | | Descriptor: | DIMETHYL SULFOXIDE, L-HOMOARGININE, Neuropilin-1 | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-03-02 | | Release date: | 2017-03-29 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5IYY
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-4 ligand. | | Descriptor: | Neuropilin-1, N~2~-[(benzyloxy)carbonyl]-L-arginine | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5JHK
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-6 ligand. | | Descriptor: | N-(benzenecarbonyl)glycyl-L-arginine, Neuropilin-1 | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-04-21 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5J1X
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-5 ligand. | | Descriptor: | DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(tert-butoxycarbonyl)-L-arginine | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-03-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5JGQ
 | | X-ray structure of neuropilin-1 b1 domain complexed with Arg-7 ligand. | | Descriptor: | DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(benzenecarbonyl)-L-arginine | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-04-20 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5JGI
 | | X-ray structure of neuropilin-1 b1 domain complexed with M45 compound | | Descriptor: | N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1 | | Authors: | Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. | | Deposit date: | 2016-04-20 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
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5K4U
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei showing different active site loop conformations between dimer subunits, refined to 1.9 angstroms | | Descriptor: | ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5K4W
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2018-01-10 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5K4Q
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.3 angstroms | | Descriptor: | GLYCEROL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | | Deposit date: | 2016-05-21 | | Release date: | 2017-11-15 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5K4V
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.2 angstroms | | Descriptor: | ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5K4T
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5K50
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms | | Descriptor: | ACETATE ION, ALLO-THREONINE, GLYCEROL, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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5K4Y
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2018-01-17 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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6TCF
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6T82
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