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8JT6
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BU of 8jt6 by Molmil
5-HT1A-Gi in complex with compound (R)-IHCH-7179
分子名称: 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S.
登録日2023-06-21
公開日2024-02-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
5XRG
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BU of 5xrg by Molmil
Galectin-10/Charcot-Leyden crystal protein crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRK
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BU of 5xrk by Molmil
Galectin-10/Charcot-Leyden crystal protein variant C57A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XNB
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BU of 5xnb by Molmil
Crystal structure of the IcmS-IcmW-DotL complex of the Legionella type IVb secretion system
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DotL, IcmS protein, ...
著者Xu, J, Xu, D, Zhu, Y.
登録日2017-05-19
公開日2017-09-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Crystal Structure of The IcmS-IcmW Complex in the Legionella Type IVb Secretion System
To Be Published
5XG8
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BU of 5xg8 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
分子名称: GLYCEROL, Galactoside-binding soluble lectin 13
著者Wang, Y, Su, J.Y.
登録日2017-04-12
公開日2018-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
5XRP
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BU of 5xrp by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q75A
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRO
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BU of 5xro by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q74A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XG7
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BU of 5xg7 by Molmil
Galectin-13/Placental Protein 13 crystal structure
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.Y, Wang, Y.
登録日2017-04-12
公開日2018-01-31
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
5XRI
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BU of 5xri by Molmil
Galectin-10/Charcot-Leyden crystal protein-C29A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRJ
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BU of 5xrj by Molmil
Galectin-10/Charcot-Leyden crystal protein variant H53A crystal structure
分子名称: Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
分子名称: GLYCEROL, SULFATE ION, Streptavidin, ...
著者Rebelein, J.G.
登録日2019-06-29
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
5XXH
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BU of 5xxh by Molmil
Crystal Structure Analysis of the CBP
分子名称: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M.
登録日2017-07-04
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
5XRL
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BU of 5xrl by Molmil
Galectin-10/Charcot-Leyden crystal protein variant N65A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRM
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BU of 5xrm by Molmil
Galectin-10/Charcot-Leyden crystal protein variant W72A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRH
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BU of 5xrh by Molmil
Galectin-10/Charcot-Leyden crystal protein crystal structure
分子名称: Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRN
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BU of 5xrn by Molmil
Galectin-10/Charcot-Leyden crystal protein variant K73A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5Y03
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BU of 5y03 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
分子名称: Galactoside-binding soluble lectin 13
著者Wang, Y, Su, J.
登録日2017-07-14
公開日2018-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138.
Sci Rep, 8, 2018
6TQG
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BU of 6tqg by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-12-16
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3PPV
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BU of 3ppv by Molmil
Crystal structure of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: CALCIUM ION, SULFATE ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: SODIUM ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
6T37
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BU of 6t37 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3PPW
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BU of 3ppw by Molmil
Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
分子名称: SODIUM ION, von Willebrand factor
著者Zhou, M, Dong, X, Zhong, C, Ding, J.
登録日2010-11-25
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
6V8X
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BU of 6v8x by Molmil
VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure
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, Envelope glycoprotein gp120, ...
著者Henderson, R, Acharya, P.
登録日2019-12-12
公開日2020-02-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements.
Nat Commun, 11, 2020
6E3Z
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BU of 6e3z by Molmil
Structure of Bace-1 in complex with Ligand 8
分子名称: Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
著者Shaffer, P.L.
登録日2018-07-16
公開日2019-09-11
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor
Acs Symp.Ser., 1307, 2020

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