7XPL
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7UW6
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![BU of 7uw6 by Molmil](/molmil-images/mine/7uw6) | The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2 | Descriptor: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase | Authors: | Wang, J, Zhang, Z.Y. | Deposit date: | 2022-05-02 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors. J.Med.Chem., 65, 2022
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7XRH
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![BU of 7xrh by Molmil](/molmil-images/mine/7xrh) | Feruloyl esterase from Lactobacillus acidophilus | Descriptor: | Cinnamoyl esterase | Authors: | Hwang, J, Lee, C.W, Lee, J.H, Do, H. | Deposit date: | 2022-05-10 | Release date: | 2023-05-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Feruloyl Esterase ( La Fae) from Lactobacillus acidophilus : Structural Insights and Functional Characterization for Application in Ferulic Acid Production. Int J Mol Sci, 24, 2023
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5ZRX
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![BU of 5zrx by Molmil](/molmil-images/mine/5zrx) | Crystal Structure of EphA2/SHIP2 Complex | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2,Ephrin type-A receptor 2 | Authors: | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | Deposit date: | 2018-04-25 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions. Elife, 7, 2018
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5ZRY
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![BU of 5zry by Molmil](/molmil-images/mine/5zry) | Crystal Structure of EphA6/Odin Complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ankyrin repeat and SAM domain-containing protein 1A,Ephrin type-A receptor 6, ... | Authors: | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | Deposit date: | 2018-04-25 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions. Elife, 7, 2018
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5ZRZ
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![BU of 5zrz by Molmil](/molmil-images/mine/5zrz) | Crystal Structure of EphA5/SAMD5 Complex | Descriptor: | Ephrin type-A receptor 5, Sterile alpha motif domain-containing protein 5 | Authors: | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | Deposit date: | 2018-04-25 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions. Elife, 7, 2018
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7C9Q
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![BU of 7c9q by Molmil](/molmil-images/mine/7c9q) | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | Authors: | Huang, Y, Li, R, Wan, J. | Deposit date: | 2020-06-07 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP To Be Published
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6LNK
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![BU of 6lnk by Molmil](/molmil-images/mine/6lnk) | Candida albicans Fructose-1,6-bisphosphate aldolase | Descriptor: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION | Authors: | Huang, Y, Cao, H, Ren, Y, Wan, J. | Deposit date: | 2019-12-30 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.639 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7YVA
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![BU of 7yva by Molmil](/molmil-images/mine/7yva) | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid | Descriptor: | 1,2-ETHANEDIOL, Candida albicans Fructose-1,6-bisphosphate aldolase, LIPOIC ACID, ... | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | Deposit date: | 2022-08-19 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Crystal structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with lipoic acid To Be Published
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8DVX
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![BU of 8dvx by Molmil](/molmil-images/mine/8dvx) | Structure of acetylated Pig somatic Cytochrome c (Aly39) at 1.5A | Descriptor: | Cytochrome c, HEME C, HEXACYANOFERRATE(3-) | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | Deposit date: | 2022-07-30 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
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8DZL
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![BU of 8dzl by Molmil](/molmil-images/mine/8dzl) | Structure of the K39Q mutant of rat somatic Cytochrome c at 1.36A | Descriptor: | Cytochrome c, somatic, HEME C | Authors: | Edwards, B.F.P, Huettemann, M, Vaishnav, A, Brunzelle, J, Morse, P, Wan, J. | Deposit date: | 2022-08-08 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle. Nat Commun, 14, 2023
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5Y1Z
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![BU of 5y1z by Molmil](/molmil-images/mine/5y1z) | Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain | Descriptor: | Drebrin, GLYCEROL, Protein kinase C-binding protein 1, ... | Authors: | Yao, N, Li, J, Liu, H, Wan, J, Liu, W, Zhang, M. | Deposit date: | 2017-07-22 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.676 Å) | Cite: | The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin Structure, 25, 2017
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6JLE
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![BU of 6jle by Molmil](/molmil-images/mine/6jle) | Crystal structure of MORN4/Myo3a complex | Descriptor: | CITRIC ACID, GLYCEROL, MORN repeat-containing protein 4, ... | Authors: | Li, J, Liu, H, Raval, M.H, Wan, J, Yengo, C.M, Liu, W, Zhang, M. | Deposit date: | 2019-03-05 | Release date: | 2019-07-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the MORN4/Myo3a Tail Complex Reveals MORN Repeats as Protein Binding Modules. Structure, 27, 2019
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7V6G
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![BU of 7v6g by Molmil](/molmil-images/mine/7v6g) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase mutation C157S with CN39 | Descriptor: | 1,2-ETHANEDIOL, Fructose-bisphosphate aldolase, ZINC ION, ... | Authors: | Cao, H, Huang, Y, Chen, H, Wan, C, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7V6F
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![BU of 7v6f by Molmil](/molmil-images/mine/7v6f) | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | Deposit date: | 2021-08-20 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis. J.Med.Chem., 65, 2022
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7XZG
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![BU of 7xzg by Molmil](/molmil-images/mine/7xzg) | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ | Descriptor: | 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Cao, H, Meng, J, Ren, Y, Wan, J. | Deposit date: | 2022-06-02 | Release date: | 2023-06-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | High resolution crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from Candida albicans complexed with NAD+ To Be Published
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7WJV
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![BU of 7wjv by Molmil](/molmil-images/mine/7wjv) | Crystal structure of human liver FBPase complexed with an covalent inhibitor | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J.Med.Chem., 65, 2022
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3QAU
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![BU of 3qau by Molmil](/molmil-images/mine/3qau) | 3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme a reductase, GLYCEROL, SODIUM ION, ... | Authors: | Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J. | Deposit date: | 2011-01-11 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae To be Published
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3QAE
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![BU of 3qae by Molmil](/molmil-images/mine/3qae) | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ... | Authors: | Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J. | Deposit date: | 2011-01-10 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae To be Published
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5KZN
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![BU of 5kzn by Molmil](/molmil-images/mine/5kzn) | Metabotropic Glutamate Receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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5KZQ
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![BU of 5kzq by Molmil](/molmil-images/mine/5kzq) | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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4OR9
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![BU of 4or9 by Molmil](/molmil-images/mine/4or9) | Crystal structure of human calcineurin | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | Authors: | Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | Deposit date: | 2014-02-11 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin To be Published
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3CD4
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![BU of 3cd4 by Molmil](/molmil-images/mine/3cd4) | |
4Z62
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![BU of 4z62 by Molmil](/molmil-images/mine/4z62) | The plant peptide hormone free receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1 | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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4Z5W
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![BU of 4z5w by Molmil](/molmil-images/mine/4z5w) | The plant peptide hormone receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ... | Authors: | Chai, J, Wang, J, Han, Z. | Deposit date: | 2015-04-03 | Release date: | 2016-03-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric receptor activation by the plant peptide hormone phytosulfokine Nature, 525, 2015
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