5CZ3
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![BU of 5cz3 by Molmil](/molmil-images/mine/5cz3) | Crystal Structure of Myxoma Virus M64 | Descriptor: | BETA-MERCAPTOETHANOL, M64R | Authors: | Krumm, B.E, Meng, X, Li, Y, Xiang, Y, Deng, J. | Deposit date: | 2015-07-31 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for antagonizing a host restriction factor by C7 family of poxvirus host-range proteins. Proc.Natl.Acad.Sci.USA, 112, 2015
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6QYZ
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6OAQ
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![BU of 6oaq by Molmil](/molmil-images/mine/6oaq) | Crystal structure of a dual sensor histidine kinase in BeF3- bound state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
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![BU of 6ob8 by Molmil](/molmil-images/mine/6ob8) | Crystal structure of a dual sensor histidine kinase in green light illuminated state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-19 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4N9B
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![BU of 4n9b by Molmil](/molmil-images/mine/4n9b) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.859 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4N9D
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![BU of 4n9d by Molmil](/molmil-images/mine/4n9d) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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4N9C
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![BU of 4n9c by Molmil](/molmil-images/mine/4n9c) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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2YNB
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![BU of 2ynb by Molmil](/molmil-images/mine/2ynb) | |
8JY0
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![BU of 8jy0 by Molmil](/molmil-images/mine/8jy0) | Crystal structure of RhoBAST complexed with TMR-DN | Descriptor: | 2,4-dinitroaniline, 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Y, Xiao, Y, Xu, Z, Fang, X. | Deposit date: | 2023-07-02 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST. Nat Commun, 15, 2024
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8IXZ
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8IY1
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![BU of 8iy1 by Molmil](/molmil-images/mine/8iy1) | Structure of Acb2 complexed with cAAG | Descriptor: | GUANOSINE-3'-MONOPHOSPHATE, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-04-03 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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8IY0
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![BU of 8iy0 by Molmil](/molmil-images/mine/8iy0) | Structure of Acb2 complexed with cAAA | Descriptor: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, p26 | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-04-03 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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8IY2
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![BU of 8iy2 by Molmil](/molmil-images/mine/8iy2) | Structure of Acb2 complexed with 3',3'-cGAMP and cAAA | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-3'-MONOPHOSPHATE, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, ... | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-04-03 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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8J8O
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![BU of 8j8o by Molmil](/molmil-images/mine/8j8o) | Structure of Acb2 complexed with 2',3'-cGAMP | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, cGAMP, ... | Authors: | Cao, X.L, Xiao, Y, Feng, Y. | Deposit date: | 2023-05-02 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides. Mol.Cell, 84, 2024
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4KFP
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![BU of 4kfp by Molmil](/molmil-images/mine/4kfp) | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | Deposit date: | 2013-04-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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5KIJ
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![BU of 5kij by Molmil](/molmil-images/mine/5kij) | Crystal structure of the class I human endoplasmic reticulum 1,2-alpha-mannosidase and Man9GlcNAc2-PA complex | Descriptor: | 1,4-BUTANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... | Authors: | Karaveg, K, Xiang, Y, Moremen, K.W. | Deposit date: | 2016-06-16 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Substrate recognition and catalysis by GH47 alpha-mannosidases involved in Asn-linked glycan maturation in the mammalian secretory pathway. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5HQC
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![BU of 5hqc by Molmil](/molmil-images/mine/5hqc) | A Glycoside Hydrolase Family 97 enzyme R171K variant from Pseudoalteromonas sp. strain K8 | Descriptor: | CALCIUM ION, CHLORIDE ION, FORMIC ACID, ... | Authors: | Li, J, He, C, Xiao, Y. | Deposit date: | 2016-01-21 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation. J. Struct. Biol., 196, 2016
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5KK7
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![BU of 5kk7 by Molmil](/molmil-images/mine/5kk7) | Crystal structure of the class I human endoplasmic reticulum 1,2-alpha-mannosidase T688A mutant and Thio-disaccharide substrate analog complex | Descriptor: | 1,4-BUTANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, ... | Authors: | Karaveg, K, Xiang, Y, Moremen, K.W. | Deposit date: | 2016-06-21 | Release date: | 2017-05-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7324 Å) | Cite: | Substrate recognition and catalysis by GH47 alpha-mannosidases involved in Asn-linked glycan maturation in the mammalian secretory pathway. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5HQB
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![BU of 5hqb by Molmil](/molmil-images/mine/5hqb) | A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8 | Descriptor: | Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Li, J, He, C, Xiao, Y. | Deposit date: | 2016-01-21 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation. J. Struct. Biol., 196, 2016
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5HQA
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![BU of 5hqa by Molmil](/molmil-images/mine/5hqa) | A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas sp. strain K8 | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, CALCIUM ION, ... | Authors: | Li, J, He, C, Xiao, Y. | Deposit date: | 2016-01-21 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation. J. Struct. Biol., 196, 2016
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1T0Z
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![BU of 1t0z by Molmil](/molmil-images/mine/1t0z) | Structure of an Excitatory Insect-specific Toxin with an Analgesic Effect on Mammalian from Scorpion Buthus martensii Karsch | Descriptor: | SULFATE ION, insect neurotoxin | Authors: | Li, C, Guan, R.-J, Xiang, Y, Zhang, Y, Wang, D.-C. | Deposit date: | 2004-04-14 | Release date: | 2004-12-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of an excitatory insect-specific toxin with an analgesic effect on mammals from the scorpion Buthus martensii Karsch. Acta Crystallogr.,Sect.D, 61, 2005
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8I3V
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![BU of 8i3v by Molmil](/molmil-images/mine/8i3v) | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom. | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2023-01-18 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter To Be Published
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8IVY
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![BU of 8ivy by Molmil](/molmil-images/mine/8ivy) | Beta-Glucosidase BglA mutant E166Q in complex with glucose | Descriptor: | Beta-glucosidase, GLYCEROL, beta-D-glucopyranose | Authors: | Dong, S, Xiao, Y, Feng, Y. | Deposit date: | 2023-03-29 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Key roles of beta-glucosidase BglA for the catabolism of both laminaribiose and cellobiose in the lignocellulolytic bacterium Clostridium thermocellum. Int.J.Biol.Macromol., 250, 2023
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1U6T
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![BU of 1u6t by Molmil](/molmil-images/mine/1u6t) | Crystal structure of the human SH3 binding glutamic-rich protein like | Descriptor: | CITRIC ACID, SH3 domain-binding glutamic acid-rich-like protein | Authors: | Yin, L, Xiang, Y, Yang, N, Zhu, D.-Y, Huang, R.-H, Wang, D.-C. | Deposit date: | 2004-08-01 | Release date: | 2005-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human SH3BGRL protein: the first structure of the human SH3BGR family representing a novel class of thioredoxin fold proteins Proteins, 61, 2005
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