5YQO
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![BU of 5yqo by Molmil](/molmil-images/mine/5yqo) | Crystal structure of Sirt2 in complex with selective inhibitor L5C | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQL
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![BU of 5yql by Molmil](/molmil-images/mine/5yql) | Crystal structure of Sirt2 in complex with selective inhibitor A2I | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQM
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![BU of 5yqm by Molmil](/molmil-images/mine/5yqm) | Crystal structure of Sirt2 in complex with selective inhibitor A29 | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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8IQM
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![BU of 8iqm by Molmil](/molmil-images/mine/8iqm) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl2 modifying factor, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.967 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IQK
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![BU of 8iqk by Molmil](/molmil-images/mine/8iqk) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Bcl-2-like protein 1, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.879 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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8IQL
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![BU of 8iql by Molmil](/molmil-images/mine/8iql) | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival proteins | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-modifying factor | Authors: | Wang, H, Guo, M, Wei, H, Chen, Y. | Deposit date: | 2023-03-16 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9577 Å) | Cite: | Structural basis of the specificity and interaction mechanism of Bmf binding to pro-survival Bcl-2 family proteins. Comput Struct Biotechnol J, 21, 2023
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3T9A
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![BU of 3t9a by Molmil](/molmil-images/mine/3t9a) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 7.0 | Descriptor: | CADMIUM ION, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9E
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![BU of 3t9e by Molmil](/molmil-images/mine/3t9e) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP, 5-(PP)-IP5 (5-IP7) and MgF3 (transition state mimic) | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, Inositol Pyrophosphate Kinase, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9F
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![BU of 3t9f by Molmil](/molmil-images/mine/3t9f) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8) | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T54
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![BU of 3t54 by Molmil](/molmil-images/mine/3t54) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ATP and Cadmium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Inositol Pyrophosphate Kinase | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-07-26 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9C
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![BU of 3t9c by Molmil](/molmil-images/mine/3t9c) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and inositol hexakisphosphate (IP6) | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9D
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![BU of 3t9d by Molmil](/molmil-images/mine/3t9d) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and 5-(PP)-IP5 (5-IP7) | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T9B
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![BU of 3t9b by Molmil](/molmil-images/mine/3t9b) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 5.2 | Descriptor: | Inositol Pyrophosphate Kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3T7A
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![BU of 3t7a by Molmil](/molmil-images/mine/3t7a) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP at pH 5.2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-07-29 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3USK
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![BU of 3usk by Molmil](/molmil-images/mine/3usk) | |
3USJ
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![BU of 3usj by Molmil](/molmil-images/mine/3usj) | |
3USO
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![BU of 3uso by Molmil](/molmil-images/mine/3uso) | |
3USI
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![BU of 3usi by Molmil](/molmil-images/mine/3usi) | |
3USM
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![BU of 3usm by Molmil](/molmil-images/mine/3usm) | Crystal Structure of LeuT bound to L-selenomethionine in space group C2 from lipid bicelles (collected at 1.2 A) | Descriptor: | IODIDE ION, PHOSPHOCHOLINE, SELENOMETHIONINE, ... | Authors: | Wang, H, Elferich, J, Gouaux, E. | Deposit date: | 2011-11-23 | Release date: | 2012-01-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.008 Å) | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context. Nat.Struct.Mol.Biol., 19, 2012
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3USP
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![BU of 3usp by Molmil](/molmil-images/mine/3usp) | Crystal structure of LeuT in heptyl-beta-D-Selenoglucoside | Descriptor: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | Authors: | Wang, H, Elferich, J, Gouaux, E. | Deposit date: | 2011-11-23 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context. Nat.Struct.Mol.Biol., 19, 2012
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3USL
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![BU of 3usl by Molmil](/molmil-images/mine/3usl) | Crystal Structure of LeuT bound to L-selenomethionine in space group C2 from lipid bicelles | Descriptor: | ACETATE ION, IODIDE ION, PHOSPHOCHOLINE, ... | Authors: | Wang, H, Elferich, J, Gouaux, E. | Deposit date: | 2011-11-23 | Release date: | 2012-01-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context. Nat.Struct.Mol.Biol., 19, 2012
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3T99
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![BU of 3t99 by Molmil](/molmil-images/mine/3t99) | Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and in the absence of cadmium at pH 7.0 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol Pyrophosphate Kinase, MAGNESIUM ION | Authors: | Wang, H, Falck, J, Hall, T.M.T, Shears, S.B. | Deposit date: | 2011-08-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding. Nat.Chem.Biol., 8, 2011
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3USG
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![BU of 3usg by Molmil](/molmil-images/mine/3usg) | Crystal structure of LeuT bound to L-leucine in space group C2 from lipid bicelles | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, LEUCINE, ... | Authors: | Wang, H, Elferich, J, Gouaux, E. | Deposit date: | 2011-11-23 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context. Nat.Struct.Mol.Biol., 19, 2012
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6LZH
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![BU of 6lzh by Molmil](/molmil-images/mine/6lzh) | Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18 | Descriptor: | GrgF, SODIUM ION | Authors: | Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M. | Deposit date: | 2020-02-19 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A. J.Am.Chem.Soc., 142, 2020
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8TYV
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![BU of 8tyv by Molmil](/molmil-images/mine/8tyv) | Crystal structure of the SPX domain of XPR1 in complex with IP8 | Descriptor: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Solute carrier family 53 member 1 | Authors: | Wang, H, Shears, S.B. | Deposit date: | 2023-08-25 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Co-ordination of cellular phosphate uptake and efflux requires an organelle-based receptor for the inositol pyrophosphate, IP8 To Be Published
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