8WHB
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![BU of 8whb by Molmil](/molmil-images/mine/8whb) | Structure of nucleosome core particle of Arabidopsis thaliana | Descriptor: | DNA (antisense strand), DNA (sense strand), Histone H2A.6, ... | Authors: | Liu, Y, Zhang, Z, Du, J. | Deposit date: | 2023-09-23 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation. Nat.Plants, 10, 2024
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8WH8
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![BU of 8wh8 by Molmil](/molmil-images/mine/8wh8) | Structure of DDM1-nucleosome complex in ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, DNA (antisense strand), ... | Authors: | Liu, Y, Zhang, Z, Du, J. | Deposit date: | 2023-09-22 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation. Nat.Plants, 10, 2024
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6AAU
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![BU of 6aau by Molmil](/molmil-images/mine/6aau) | Solution Structure for m62A helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (24-mer) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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2OZT
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![BU of 2ozt by Molmil](/molmil-images/mine/2ozt) | Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1 | Descriptor: | PHOSPHATE ION, SODIUM ION, Tlr1174 protein | Authors: | Malashkevich, V.N, Bonanno, J, Toro, R, Sauder, J.M, Schwinn, K.D, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-02-27 | Release date: | 2007-03-13 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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6AAS
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![BU of 6aas by Molmil](/molmil-images/mine/6aas) | Solution Structure for helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (28-MER) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M6Q
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![BU of 4m6q by Molmil](/molmil-images/mine/4m6q) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVD
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![BU of 4lvd by Molmil](/molmil-images/mine/4lvd) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVB
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![BU of 4lvb by Molmil](/molmil-images/mine/4lvb) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6IR5
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![BU of 6ir5 by Molmil](/molmil-images/mine/6ir5) | P domain of GII.3-TV24 | Descriptor: | VP1 Capsid protein | Authors: | Yang, Y. | Deposit date: | 2018-11-10 | Release date: | 2019-11-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses. Emerg Microbes Infect, 8, 2019
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6IS5
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![BU of 6is5 by Molmil](/molmil-images/mine/6is5) | P domain of GII.3-TV24 with A-tetrasaccharide complex | Descriptor: | VP1 Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Yang, Y. | Deposit date: | 2018-11-15 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses. Emerg Microbes Infect, 8, 2019
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4ETK
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![BU of 4etk by Molmil](/molmil-images/mine/4etk) | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | Descriptor: | De novo designed serine hydrolase, SODIUM ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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6JBW
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![BU of 6jbw by Molmil](/molmil-images/mine/6jbw) | Structure of Tps1/UDP complex | Descriptor: | Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | Deposit date: | 2019-01-26 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1. Biochem.J., 476, 2019
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3H7V
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![BU of 3h7v by Molmil](/molmil-images/mine/3h7v) | CRYSTAL STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM THERMOSYNECHOCOCCUS ELONGATUS BP-1 complexed with MG in the active site | Descriptor: | MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-04-28 | Release date: | 2009-05-12 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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4F2V
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![BU of 4f2v by Molmil](/molmil-images/mine/4f2v) | Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165 | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-08 | Release date: | 2012-05-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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3H70
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![BU of 3h70 by Molmil](/molmil-images/mine/3h70) | Crystal structure of o-succinylbenzoic acid synthetase from staphylococcus aureus Complexed with mg in the active site | Descriptor: | MAGNESIUM ION, O-succinylbenzoic acid (OSB) synthetase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-04-24 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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7CN9
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![BU of 7cn9 by Molmil](/molmil-images/mine/7cn9) | Cryo-EM structure of SARS-CoV-2 Spike ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C. | Deposit date: | 2020-07-30 | Release date: | 2020-08-26 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2. Cell Rep, 32, 2020
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5C93
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![BU of 5c93 by Molmil](/molmil-images/mine/5c93) | Histidine kinase with ATP | Descriptor: | Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION | Authors: | Cai, Y. | Deposit date: | 2015-06-26 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.518 Å) | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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3FUP
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![BU of 3fup by Molmil](/molmil-images/mine/3fup) | Crystal structures of JAK1 and JAK2 inhibitor complexes | Descriptor: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Williams, N.K, Bamert, R.S, Patel, O, Fantino, E, Rossjohn, J, Lucet, I.S. | Deposit date: | 2009-01-14 | Release date: | 2009-02-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J.Mol.Biol., 387, 2009
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4JLL
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![BU of 4jll by Molmil](/molmil-images/mine/4jll) | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-12 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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4JVV
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![BU of 4jvv by Molmil](/molmil-images/mine/4jvv) | Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | evolved variant of the computationally designed serine hydrolase | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-26 | Release date: | 2013-04-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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5DRB
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![BU of 5drb by Molmil](/molmil-images/mine/5drb) | Crystal structure of WNK1 in complex with WNK463 | Descriptor: | N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1 | Authors: | Kohls, D, Xie, X. | Deposit date: | 2015-09-15 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Small-molecule WNK inhibition regulates cardiovascular and renal function. Nat.Chem.Biol., 12, 2016
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6L03
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![BU of 6l03 by Molmil](/molmil-images/mine/6l03) | structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex | Descriptor: | Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | Deposit date: | 2019-09-25 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.084 Å) | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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6KZQ
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![BU of 6kzq by Molmil](/molmil-images/mine/6kzq) | structure of PTP-MEG2 and NSF-pY83 peptide complex | Descriptor: | NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9 | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | Deposit date: | 2019-09-25 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates. Embo Rep., 22, 2021
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