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8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
分子名称: De novo design cavitated protein
著者Hu, X, Xu, Y.
登録日2023-06-11
公開日2023-06-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design cavitated protein without predefined topology
To Be Published
8J1X
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BU of 8j1x by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2023-04-13
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8J1W
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BU of 8j1w by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: near-infrared fluorescent protein
著者Hu, X, Xu, Y.
登録日2023-04-13
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8J98
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BU of 8j98 by Molmil
A near-infrared fluorescent protein of de novo backbone design
分子名称: 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, FORMIC ACID, GLYCEROL, ...
著者Hu, X, Xu, Y.
登録日2023-05-02
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献De novo backbone design for monomerization of near-infrared fluorescent protein
To Be Published
6JH5
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BU of 6jh5 by Molmil
Structure of Marine bacterial laminarinase
分子名称: CALCIUM ION, LamCAT
著者Yang, J, Xu, Y, Miyakawa, T, Ru, L, Tanokura, M, Long, L.
登録日2019-02-17
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
6JIA
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BU of 6jia by Molmil
Marine bacterial laminarinase mutant E135A complex with laminaritetraose
分子名称: CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase
著者Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
登録日2019-02-20
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
6HN4
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BU of 6hn4 by Molmil
Leucine-zippered human insulin receptor ectodomain with single bound insulin - "lower" membrane-proximal part
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor,Insulin receptor,General control protein GCN4
著者Weis, F, Menting, J.G, Margetts, M.B, Chan, S.J, Xu, Y, Tennagels, N, Wohlfart, P, Langer, T, Mueller, C.W, Dreyer, M.K, Lawrence, M.C.
登録日2018-09-14
公開日2018-11-21
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The signalling conformation of the insulin receptor ectodomain.
Nat Commun, 9, 2018
6HN5
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BU of 6hn5 by Molmil
Leucine-zippered human insulin receptor ectodomain with single bound insulin - "upper" membrane-distal part
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
著者Weis, F, Menting, J.G, Margetts, M.B, Chan, S.J, Xu, Y, Tennagels, N, Wohlfart, P, Langer, T, Mueller, C.W, Dreyer, M.K, Lawrence, M.C.
登録日2018-09-14
公開日2018-11-21
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The signalling conformation of the insulin receptor ectodomain.
Nat Commun, 9, 2018
6JHJ
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BU of 6jhj by Molmil
Structure of Marine bacterial laminarinase mutant-E135A
分子名称: CALCIUM ION, LamCAT
著者Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
登録日2019-02-18
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
5XM5
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BU of 5xm5 by Molmil
Crystal structure of Zinc binding protein ZinT at 1.49 Angstrom from E. coli
分子名称: Metal-binding protein ZinT, SODIUM ION, ZINC ION
著者Chen, J, Wang, L, Guo, J, Xu, Y.
登録日2017-05-12
公開日2017-05-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Crystal structure of Zinc binding protein ZinT at 1.49 Angstrom from E. coli
To Be Published
7EGB
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BU of 7egb by Molmil
TFIID-based holo PIC on SCP promoter
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y.
登録日2021-03-24
公開日2021-05-05
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
5ZHZ
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BU of 5zhz by Molmil
Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis
分子名称: Probable endonuclease 4, SULFATE ION, ZINC ION
著者Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z.
登録日2018-03-13
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 498, 2018
5Z7H
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BU of 5z7h by Molmil
Crystal structure of CcpE regulatory domain in citrate-bound form from Staphyloccocus aureus
分子名称: CITRATE ANION, LysR family transcriptional regulator
著者Chen, J, Wang, L, Shang, F, Xu, Y.
登録日2018-01-28
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Citrate-responsive mechanism of catabolite control protein E from Staphyloccocus aureus
To Be Published
5ZD4
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BU of 5zd4 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*GP*TP*GP*TP*GP*AP*AP*A)-3'), Maltose-binding periplasmic protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Nosaki, S, Miyakawa, T, Xu, Y, Nakamura, A, Hirabayashi, K, Tanokura, M.
登録日2018-02-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for brassinosteroid response by BIL1/BZR1.
Nat Plants, 4, 2018
6A0W
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BU of 6a0w by Molmil
Crystal structure of lipase from Rhizopus microsporus var. chinensis
分子名称: Lipase, SULFATE ION
著者Zhang, M, Yu, X.W, Xu, Y, Huang, C.H, Guo, R.T.
登録日2018-06-06
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis by Which the N-Terminal Polypeptide Segment ofRhizopus chinensisLipase Regulates Its Substrate Binding Affinity.
Biochemistry, 58, 2019
7VPP
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BU of 7vpp by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7VPQ
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BU of 7vpq by Molmil
Structures of a deltacoronavirus spike protein bound to porcine and human receptors indicate the risk of virus adaptation to humans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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Ji, W, Xu, Y, Zhang, S.
登録日2021-10-17
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of a deltacoronavirus spike protein bound to porcine and human receptors.
Nat Commun, 13, 2022
7WL4
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BU of 7wl4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor SLP-50
分子名称: Bromodomain-containing protein 4, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide
著者Zhang, C, Wang, C, Li, W, Zhang, Y, Xu, Y, Sun, L.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors.
Bioorg.Chem., 127, 2022
7XNG
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BU of 7xng by Molmil
Crystal structure of CBP bromodomain liganded with Y08092(31g)
分子名称: 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid, CREB-binding protein, DI(HYDROXYETHYL)ETHER, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
登録日2022-04-28
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of CBP bromodomain liganded with Y08092(31g)
To Be Published
7XIJ
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BU of 7xij by Molmil
Crystal structure of CBP bromodomain liganded with Y08175
分子名称: 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y.
登録日2022-04-13
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
7XM7
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BU of 7xm7 by Molmil
Crystal Structure of the CBP in complex with the Y08188
分子名称: 1,2-ETHANEDIOL, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
登録日2022-04-25
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as potent and selective CBP bromodomain inhibitors
To Be Published
7XNE
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BU of 7xne by Molmil
Crystal structure of CBP bromodomain liganded with Y08284
分子名称: CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
著者Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y.
登録日2022-04-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
7XQE
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BU of 7xqe by Molmil
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
分子名称: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
著者Wu, X, Li, C, Zhang, Y, Xu, Y.
登録日2022-05-07
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
7YCX
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BU of 7ycx by Molmil
The structure of INTAC-PEC complex
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1,DNA-directed RNA polymerase II subunit RPB1, ...
著者Zheng, H, Jin, Q, Wang, X, Qi, Y, Liu, W, Ren, Y, Zhao, D, Chen, F.X, Cheng, J, Chen, X, Xu, Y.
登録日2022-07-02
公開日2023-03-15
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Structural basis of INTAC-regulated transcription.
Protein Cell, 14, 2023
7EDX
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BU of 7edx by Molmil
p53-bound TFIID-based core PIC on HDM2 promoter
分子名称: DNA (84-mer), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Qi, Y, Hou, H, Wang, X, Wu, Z, Li, J, Xu, Y.
登録日2021-03-17
公開日2021-05-05
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021

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