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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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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6OAP
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![BU of 6oap by Molmil](/molmil-images/mine/6oap) | Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | 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 (1.97 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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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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4U03
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![BU of 4u03 by Molmil](/molmil-images/mine/4u03) | |
4U0M
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![BU of 4u0m by Molmil](/molmil-images/mine/4u0m) | |
7KSP
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![BU of 7ksp by Molmil](/molmil-images/mine/7ksp) | Crystal structure of hSAMD9_DBD with DNA | Descriptor: | DNA, Sterile alpha motif domain-containing protein 9 | Authors: | Peng, S, Pathak, P, Xiang, Y, Deng, J. | Deposit date: | 2020-11-23 | Release date: | 2022-01-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L. Proc.Natl.Acad.Sci.USA, 119, 2022
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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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4JNM
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![BU of 4jnm by Molmil](/molmil-images/mine/4jnm) | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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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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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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5HQ4
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![BU of 5hq4 by Molmil](/molmil-images/mine/5hq4) | A Glycoside Hydrolase Family 97 enzyme 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 (1.926 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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4YJE
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![BU of 4yje by Molmil](/molmil-images/mine/4yje) | Crystal structure of APC-ARM in complexed with Amer1-A1 | Descriptor: | APC membrane recruitment protein 1, Adenomatous polyposis coli protein | Authors: | Zhang, Z, Xiao, Y, Wu, G. | Deposit date: | 2015-03-03 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners Cell Discov, 1, 2015
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4YJL
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![BU of 4yjl by Molmil](/molmil-images/mine/4yjl) | Crystal structure of APC-ARM in complexed with Amer1-A2 | Descriptor: | 1,2-ETHANEDIOL, APC membrane recruitment protein 1, Adenomatous polyposis coli protein | Authors: | Zhang, Z, Xiao, Y, Wu, G. | Deposit date: | 2015-03-03 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners Cell Discov, 1, 2015
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4YK6
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![BU of 4yk6 by Molmil](/molmil-images/mine/4yk6) | Crystal structure of APC-ARM in complexed with Amer1-A4 | Descriptor: | APC membrane recruitment protein 1, Adenomatous polyposis coli protein | Authors: | Zhang, Z, Xiao, Y, Wu, G. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners Cell Discov, 1, 2015
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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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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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2YNB
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![BU of 2ynb by Molmil](/molmil-images/mine/2ynb) | |
6LUM
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![BU of 6lum by Molmil](/molmil-images/mine/6lum) | Structure of Mycobacterium smegmatis succinate dehydrogenase 2 | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ... | Authors: | Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z. | Deposit date: | 2020-01-29 | Release date: | 2020-05-27 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF. Nat Commun, 11, 2020
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2YNA
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![BU of 2yna by Molmil](/molmil-images/mine/2yna) | |
5FB5
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![BU of 5fb5 by Molmil](/molmil-images/mine/5fb5) | |
3O5Z
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![BU of 3o5z by Molmil](/molmil-images/mine/3o5z) | Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R. | Deposit date: | 2010-07-28 | Release date: | 2011-08-10 | Last modified: | 2014-09-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit Acta Crystallogr.,Sect.F, 67, 2011
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