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5ZG6
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BU of 5zg6 by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "post-acylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2018-03-07
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
7VFV
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BU of 7vfv by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212
分子名称: (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
登録日2021-09-13
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFU
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BU of 7vfu by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
登録日2021-09-13
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFW
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BU of 7vfw by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ...
著者Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
登録日2021-09-13
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFS
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BU of 7vfs by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
登録日2021-09-13
公開日2021-11-03
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
5ZFT
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BU of 5zft by Molmil
Crystal structure of beta-lactamase PenP mutant-E166Y in complex with cephaloridine as "pre-deacylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2018-03-07
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The hydrolytic water molecule of Class A beta-lactamase relies on the acyl-enzyme intermediate ES* for proper coordination and catalysis.
Sci Rep, 10, 2020
7W72
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BU of 7w72 by Molmil
Structure of a human glycosylphosphatidylinositol (GPI) transamidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GPI transamidase component PIG-S, ...
著者Zhang, H, Su, J, Li, B, Gao, Y, Zhang, X.C, Zhao, Y.
登録日2021-12-02
公開日2022-02-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of human glycosylphosphatidylinositol transamidase.
Nat.Struct.Mol.Biol., 29, 2022
5C7U
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BU of 5c7u by Molmil
5'-monophosphate wt Guanine Riboswitch bound to hypoxanthine.
分子名称: 5'-monophosphate wt guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE
著者Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A.
登録日2015-06-24
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair.
Angew.Chem.Int.Ed.Engl., 54, 2015
7XHJ
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BU of 7xhj by Molmil
Crystal structure of RuvC from Deinococcus radiodurans
分子名称: Crossover junction endodeoxyribonuclease RuvC
著者Qin, C, Zhao, Y.
登録日2022-04-08
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of the Holliday Junction Resolvase RuvC from Deinococcus radiodurans.
Microorganisms, 10, 2022
5C7W
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BU of 5c7w by Molmil
5'-monophosphate Z:P Guanine Riboswitch bound to hypoxanthine.
分子名称: 5'-monophosphate Z:P guanine riboswitch, COBALT HEXAMMINE(III), HYPOXANTHINE
著者Hernandez, A.R, Shao, Y, Hoshika, S, Yang, Z, Shelke, S.A, Herrou, J, Kim, H.-J, Kim, M.-J, Piccirilli, J.A, Benner, S.A.
登録日2015-06-25
公開日2015-08-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献A Crystal Structure of a Functional RNA Molecule Containing an Artificial Nucleobase Pair.
Angew.Chem.Int.Ed.Engl., 54, 2015
6I2K
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BU of 6i2k by Molmil
Structure of EV71 complexed with its receptor SCARB2
分子名称: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I.
登録日2018-11-01
公開日2018-11-28
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
6IMG
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BU of 6img by Molmil
Solution Structure of Bicyclic Peptide pb-13
分子名称: (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2)
著者Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C.
登録日2018-10-22
公開日2019-08-28
実験手法SOLUTION NMR
主引用文献Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
6ISL
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BU of 6isl by Molmil
SnoaL-like cyclase XimE with its product xiamenmycin B
分子名称: (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid, XimE, SnoaL-like domain protein
著者He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M.
登録日2018-11-16
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
6JBR
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BU of 6jbr by Molmil
Tps1/UDP/T6P complex
分子名称: 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
7WLD
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BU of 7wld by Molmil
Cryo-EM structure of the human glycosylphosphatidylinositol transamidase complex at 2.53 Angstrom resolution
分子名称: (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, Y, Li, T, Luo, Y, Chao, Y, Jia, G, Zhou, Z, Su, Z, Qu, Q, Li, D.
登録日2022-01-13
公開日2022-04-27
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Molecular insights into biogenesis of glycosylphosphatidylinositol anchor proteins.
Nat Commun, 13, 2022
6JBI
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BU of 6jbi by Molmil
Structure of Tps1 apo structure
分子名称: Trehalose-6-phosphate synthase
著者Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J.
登録日2019-01-25
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JAK
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BU of 6jak by Molmil
OtsA apo structure
分子名称: Trehalose-6-phosphate synthase
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-24
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6HRO
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BU of 6hro by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a
分子名称: 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Ren, J, Zhao, Y, Stuart, D.I.
登録日2018-09-27
公開日2019-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
6JBW
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BU of 6jbw by Molmil
Structure of Tps1/UDP complex
分子名称: Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6HS4
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BU of 6hs4 by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118
分子名称: 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Ren, J, Zhao, Y, Stuart, D.I.
登録日2018-09-28
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
6K05
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BU of 6k05 by Molmil
Crystal structure of BRD2(BD1)with ligand BY27 bound
分子名称: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
登録日2019-05-05
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.935 Å)
主引用文献Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
6IMH
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BU of 6imh by Molmil
Solution Structure of Bicyclic Peptide pb-18
分子名称: (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2)
著者Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C.
登録日2018-10-22
公開日2019-08-28
実験手法SOLUTION NMR
主引用文献Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
6ISK
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BU of 6isk by Molmil
SnoaL-like cyclase XimE
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, XimE, ...
著者He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M.
登録日2018-11-16
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
6K04
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BU of 6k04 by Molmil
Crystal structure of BRD2(BD2)with ligand BY27 bound
分子名称: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2
著者Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
登録日2019-05-05
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
分子名称: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021

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