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5HQC
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BU of 5hqc by Molmil
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
4YK6
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BU of 4yk6 by Molmil
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
1U6T
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BU of 1u6t by Molmil
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
4XFU
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BU of 4xfu by Molmil
Structure of IL-18 SER Mutant V
Descriptor: Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFT
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BU of 4xft by Molmil
Structure of IL-18 SER Mutant III
Descriptor: DIMETHYL SULFOXIDE, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4XFS
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BU of 4xfs by Molmil
Structure of IL-18 SER Mutant I
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Interleukin-18
Authors:Krumm, B.E, Meng, X, Xiang, Y, Deng, J.
Deposit date:2014-12-28
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystallization of interleukin-18 for structure-based inhibitor design.
Acta Crystallogr.,Sect.F, 71, 2015
4JNM
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BU of 4jnm by Molmil
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
2YNB
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BU of 2ynb by Molmil
Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael acceptor SG85
Descriptor: 3C-LIKE PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, NICKEL (II) ION
Authors:Ma, Q, Xiao, Y, Hilgenfeld, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
2YNA
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BU of 2yna by Molmil
Crystal structure of the main protease of coronavirus HKU4
Descriptor: 3C-LIKE PROTEINASE, GLYCEROL, IMIDAZOLE, ...
Authors:Ma, Q, Xiao, Y, Hilgenfeld, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
5H9F
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BU of 5h9f by Molmil
Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target at 2.45 angstrom resolution.
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A.
Deposit date:2015-12-28
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
5FB5
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BU of 5fb5 by Molmil
Crystal structure of the bacteriophage phi29 tail knob protein gp9
Descriptor: Distal tube protein
Authors:Xu, J.W, Gui, M, Wang, D.H, Xiang, Y.
Deposit date:2015-12-14
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The bacteriophage 29 tail possesses a pore-forming loop for cell membrane penetration.
Nature, 534, 2016
5FEI
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BU of 5fei by Molmil
Crystal structure of the bacteriophage phi29 tail knob protein gp9 truncation variant
Descriptor: DI(HYDROXYETHYL)ETHER, Distal tube protein
Authors:Xu, J.W, Gui, M, Wang, D.H, Xiang, Y.
Deposit date:2015-12-17
Release date:2016-06-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The bacteriophage 29 tail possesses a pore-forming loop for cell membrane penetration.
Nature, 534, 2016
5FB4
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BU of 5fb4 by Molmil
Crystal structure of the bacteriophage phi29 tail knob protein gp9 truncation variant
Descriptor: DI(HYDROXYETHYL)ETHER, Distal tube protein
Authors:Xu, J.W, Gui, M, Wang, D.H, Xiang, Y.
Deposit date:2015-12-14
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:The bacteriophage 29 tail possesses a pore-forming loop for cell membrane penetration.
Nature, 534, 2016
5H9E
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BU of 5h9e by Molmil
Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target (32-nt spacer) at 3.20 angstrom resolution.
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A.
Deposit date:2015-12-28
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli.
Nature, 530, 2016
4LVA
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BU of 4lva by Molmil
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-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, 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 (1.55 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
1U9S
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BU of 1u9s by Molmil
Crystal structure of the specificity domain of Ribonuclease P of the A-type
Descriptor: BARIUM ION, RIBONUCLEASE P
Authors:Krasilnikov, A.S, Xiao, Y, Pan, T, Mondragon, A.
Deposit date:2004-08-10
Release date:2004-10-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Basis for structural diversity in homologous RNAs.
Science, 306, 2004
8JY0
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BU of 8jy0 by Molmil
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
8HFF
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BU of 8hff by Molmil
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
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFL
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BU of 8hfl by Molmil
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
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFI
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BU of 8hfi by Molmil
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
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFE
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BU of 8hfe by Molmil
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
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFG
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BU of 8hfg by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of dopamine in an inward-open state at resolution of 3.0 angstrom.
Descriptor: CHLORIDE ION, L-DOPAMINE, 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
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
1X7I
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BU of 1x7i by Molmil
Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C.
Deposit date:2004-08-14
Release date:2005-03-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels
Proteins, 58, 2004
4ZM6
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BU of 4zm6 by Molmil
A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase
Descriptor: ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION
Authors:Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R.
Deposit date:2015-05-02
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase
Sci Rep, 5, 2015
8IXZ
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BU of 8ixz by Molmil
Structure of Acb2 complexed with 3',2'-cGAMP
Descriptor: 3'2'-cGAMP, p26
Authors:Cao, X.L, Xiao, Y, Feng, Y.
Deposit date:2023-04-03
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Phage anti-CBASS protein simultaneously sequesters cyclic trinucleotides and dinucleotides.
Mol.Cell, 84, 2024

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數據於2024-07-24公開中

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