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5IE7
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BU of 5ie7 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate b
分子名称: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
分子名称: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE5
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BU of 5ie5 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate a
分子名称: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5IE4
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BU of 5ie4 by Molmil
Crystal structure of a lactonase mutant in complex with substrate a
分子名称: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
分子名称: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
著者Harris, S.F, Oh, A.
登録日2019-12-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-05
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
4KOM
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BU of 4kom by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4KON
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BU of 4kon by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4KOL
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BU of 4kol by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-05-12
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
7CWQ
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BU of 7cwq by Molmil
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
分子名称: DLH domain-containing protein, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-08-30
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
7CUV
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BU of 7cuv by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form
分子名称: alpha/beta hydrolase
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2020-08-25
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
4LKK
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BU of 4lkk by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKG
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BU of 4lkg by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKH
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BU of 4lkh by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LKJ
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BU of 4lkj by Molmil
The structure of hemagglutinin L226Q mutant (H3 numbering) from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) in complex with avian receptor analog 3'SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4LCX
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BU of 4lcx by Molmil
The structure of hemagglutinin from avian-origin H7N9 influenza virus (A/Shanghai/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-06-24
公開日2013-11-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
4LKI
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BU of 4lki by Molmil
The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
著者Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
登録日2013-07-07
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
4OLT
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BU of 4olt by Molmil
Chitosanase complex structure
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase, GLYCEROL
著者Liu, W.Z, Lyu, Q.Q, Han, B.Q.
登録日2014-01-25
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights into the substrate-binding mechanism for a novel chitosanase.
Biochem.J., 461, 2014
7LAW
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BU of 7law by Molmil
crystal structure of GITR complex with GITR-L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
著者Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H.
登録日2021-01-07
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.752 Å)
主引用文献An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
7M8W
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BU of 7m8w by Molmil
XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2
分子名称: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ...
著者Shiriaeva, A, Han, G.W, Cherezov, V.
登録日2021-03-30
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
6NHY
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BU of 6nhy by Molmil
Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only
分子名称: Tumor necrosis factor receptor superfamily member 10B
著者Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z.
登録日2018-12-24
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
8W89
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BU of 8w89 by Molmil
Cryo-EM structure of the PEA-bound TAAR1-Gs complex
分子名称: 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023
8W87
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BU of 8w87 by Molmil
Cryo-EM structure of the METH-TAAR1 complex
分子名称: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023

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