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7FAU
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BU of 7fau by Molmil
Structure Determination of the NB1B11-RBD Complex
分子名称: NB_1B11, Spike protein S1, ZINC ION
著者Shi, Z.Z, Li, X.X, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C, Cui, Q.Q, Qiao, H.R, Lan, Z.Y, Zhang, X.
登録日2021-07-07
公開日2022-06-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of nanobodies neutralizing SARS-CoV-2 variants.
Structure, 30, 2022
7WCL
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BU of 7wcl by Molmil
Crystal structure of FGFR1 kinase domain with Pemigatinib
分子名称: 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION
著者Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H.
登録日2021-12-20
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
5WHV
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BU of 5whv by Molmil
Crystal structure of ArtB
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ...
著者Gao, X, Galan, J.E.
登録日2017-07-18
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
5WHT
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BU of 5wht by Molmil
Crystal structure of 3'SL bound PltB
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
著者Gao, X, Galan, J.E.
登録日2017-07-18
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
7FAT
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BU of 7fat by Molmil
Structure Determination of the RBD-NB1A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nb_1A7
著者Geng, Y, Shi, Z.Z, Li, X.Y, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C.
登録日2021-07-07
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of nanobodies neutralizing SARS-CoV-2 variants
Structure, 30, 2022
5WHU
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BU of 5whu by Molmil
Crystal structure of 3'SL bound ArtB
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ArtB protein, ...
著者Gao, X, Galan, J.E.
登録日2017-07-18
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
7WZ5
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BU of 7wz5 by Molmil
Larimichthys crocea IFNi
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C
著者Chen, J.J.
登録日2022-02-17
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds.
J Immunol., 209, 2022
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
分子名称: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
著者Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
登録日2021-06-16
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.289 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7X4X
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BU of 7x4x by Molmil
BTB domain of KEAP1 in complex with MEF
分子名称: 4-ethoxy-4-oxobutanoic acid, Kelch-like ECH-associated protein 1
著者Qu, L.Z.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7X4W
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BU of 7x4w by Molmil
Crystal structure of Keap1 BTB domain in complex with dimethyl fumarate (DMF)
分子名称: Dimethyl fumarate, Kelch-like ECH-associated protein 1
著者Qu, L.Z.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.209 Å)
主引用文献Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Biochem.Biophys.Res.Commun., 605, 2022
7CUN
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BU of 7cun by Molmil
The structure of human Integrator-PP2A complex
分子名称: Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ...
著者Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y.
登録日2020-08-23
公開日2020-11-25
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase.
Science, 370, 2020
5Y8E
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BU of 5y8e by Molmil
Crystal Structure of a prokaryotic SEFIR domain
分子名称: Sefir domain protein
著者Zhang, R, Ye, S, Zhu, Y, Yang, H.
登録日2017-08-21
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Structure of a prokaryotic SEFIR domain reveals two novel SEFIR-SEFIR interaction modes.
J. Struct. Biol., 203, 2018
6ATB
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BU of 6atb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LOD812
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ...
著者Weihofen, W.A, Thigale, S.
登録日2017-08-28
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B76
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BU of 6b76 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LVR596
分子名称: (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A, Thigale, S.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
5Y8F
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BU of 5y8f by Molmil
Crystal Structure of a prokaryotic SEFIR domain
分子名称: Sefir domain protein
著者Zhang, R, Ye, S, Zhu, Y, Yang, H.
登録日2017-08-21
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a prokaryotic SEFIR domain reveals two novel SEFIR-SEFIR interaction modes.
J. Struct. Biol., 203, 2018
6AZJ
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BU of 6azj by Molmil
Crystal Structure of human NAMPT in complex with NVP-LQN520
分子名称: (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase
著者Weihofen, W.A, Thigale, S.
登録日2017-09-11
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
6B75
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BU of 6b75 by Molmil
Crystal Structure of human NAMPT in complex with NVP-LOQ594
分子名称: 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase
著者Weihofen, W.A, Thigale, S.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
7D2F
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BU of 7d2f by Molmil
Lp major histidine acid phosphatase mutant D281A/5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, Major acid phosphatase
著者Guo, Y, Teng, Y.
登録日2020-09-16
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
5ZM7
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BU of 5zm7 by Molmil
Crystal structure of ORP1-ORD in complex with cholesterol at 3.4 A resolution
分子名称: CHOLESTEROL, Oxysterol-binding protein-related protein 1
著者Dong, J, Wang, J, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.401 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
7DOQ
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BU of 7doq by Molmil
Lp major histidine acid phosphatase mutant D281A/5'-AMP
分子名称: Acid phosphatase, PHOSPHATE ION
著者Guo, Y, Teng, Y.
登録日2020-12-16
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into a new substrate binding mode of a histidine acid phosphatase from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 540, 2021
5ZM6
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BU of 5zm6 by Molmil
Crystal structure of ORP1-ORD in complex with PI(4,5)P2
分子名称: ACETATE ION, Oxysterol-binding protein-related protein 1, [(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
著者Dong, J, Wang, J, Luo, Z, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
5X4G
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BU of 5x4g by Molmil
Crystal structure of Fab fragment of anti-CD147 monoclonal antibody 6H8
分子名称: 6H8 Fab heavy chain, 6H8 Fab light chain
著者Lin, P, Zhang, M.-Y, Chen, X, Ye, S, Yu, X.-L, Zhang, R.-G, Zhu, P, Chen, Z.-N.
登録日2017-02-13
公開日2018-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody
To Be Published
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
分子名称: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Chen, Y.H, Qu, L.Z.
登録日2020-09-25
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Liu, Z.H.
登録日2018-12-30
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
5X0T
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BU of 5x0t by Molmil
Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody 6H8
分子名称: 6H8 Fab fragment heavy chain, 6H8 Fab fragment light chain, Basigin
著者Lin, P, Zhang, M.-Y, Ye, S, Chen, X, Yu, X.-L, Zhang, R.-G, Zhu, P, Chen, Z.-N.
登録日2017-01-23
公開日2018-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of CD147 C2 domain in complex with Fab of its monoclonal antibody
To Be Published

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