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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8WGR
 | | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with antidepressant desipramine in KCl condition. | | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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8WGX
 | | Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with norepinephrine in nanodisc. | | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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6N13
 | | UbcH7-Ub Complex with R0RBR Parkin and phosphoubiquitin | | Descriptor: | E3 ubiquitin-protein ligase parkin, Ubiquitin-conjugating enzyme E2 L3, ZINC ION, ... | | Authors: | Condos, T.E.C, Dunkerley, K.M, Freeman, E.A, Barber, K.R, Aguirre, J.D, Chaugule, V.K, Xiao, Y, Konermann, L, Walden, H, Shaw, G.S. | | Deposit date: | 2018-11-08 | | Release date: | 2018-11-28 | | Last modified: | 2020-01-08 | | Method: | SOLUTION NMR | | Cite: | Synergistic recruitment of UbcH7~Ub and phosphorylated Ubl domain triggers parkin activation.
EMBO J., 37, 2018
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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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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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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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8IXZ
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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
 | | 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
 | | 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
 | | 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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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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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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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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8HFF
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of norepinephrine in an inward-open state at resolution of 2.9 angstrom. | | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-15 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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8HFE
 | | Cryo-EM structure of human norepinephrine transporter NET in an inward-open state at resolution of 2.5 angstrom | | Descriptor: | CHLORIDE ION, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-15 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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8HFL
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant bupropion in an inward-open state at resolution of 3.0 angstrom. | | Descriptor: | Bupropion, CHLORIDE ION, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-11-11 | | Release date: | 2024-05-15 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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8HFI
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant desipramine in an inward-open state at resolution of 2.5 angstrom. | | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-15 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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