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8B3W
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Structure of metacyclic VSG (mVSG) 1954 from Trypanosoma brucei
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Variant surface glycoprotein 1954
著者Chandra, M, Stebbins, C.E.
登録日2022-09-17
公開日2023-01-25
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
6XQ1
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Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-((4-(4-carboxyphenoxy)benzyl)oxy)phenyl)-1H-indole-2-carboxylic acid
分子名称: 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6PRZ
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XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ...
著者Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
登録日2019-07-12
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6XST
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Recombinant Beta-2-Glycoprotein I with putative membrane insertion loop
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, ...
著者Klenotic, P.A, Yu, E.W.Y.
登録日2020-07-16
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Beta-2-Glycoprotein I and it's role in APS
To Be Published
8GLR
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BU of 8glr by Molmil
FrlB - Deglycase for 6-phosphofructose lysine
分子名称: GLYCEROL, SIS domain-containing protein
著者Bell, C.E, Gopalan, V, Kovvali, S.
登録日2023-03-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine.
Protein Sci., 32, 2023
8B3E
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BU of 8b3e by Molmil
Variant Surface Glycoprotein VSG397
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 397
著者Zeelen, J.P, Stebbins, C.E, Dakovic, S, Foti, K.
登録日2022-09-16
公開日2023-01-25
最終更新日2023-04-19
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural similarities between the metacyclic and bloodstream form variant surface glycoproteins of the African trypanosome.
Plos Negl Trop Dis, 17, 2023
6XQ6
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BU of 6xq6 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 11
分子名称: 3-phenoxyphenol, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ3
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Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid
分子名称: 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ8
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BU of 6xq8 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 11
分子名称: 3-phenoxyphenol, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XQ5
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BU of 6xq5 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1
分子名称: 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6ZXZ
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BU of 6zxz by Molmil
Sarcin-Ricin Loop RNA from Ecoli with a A2670-2'-OCF3 modification
分子名称: POTASSIUM ION, SODIUM ION, Sarcin-Ricin Loop RNA from Ecoli with a A2670-2'-OCF3 modification
著者Ennifar, E.
登録日2020-07-30
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献2'- O -Trifluoromethylated RNA - a powerful modification for RNA chemistry and NMR spectroscopy.
Chem Sci, 11, 2020
6XQ7
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BU of 6xq7 by Molmil
Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 5
分子名称: 5-bromo-3-methyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ...
著者Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
6XS7
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BU of 6xs7 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2
分子名称: 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XSA
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BU of 6xsa by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2
分子名称: 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS5
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BU of 6xs5 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1
分子名称: 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6X6X
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BU of 6x6x by Molmil
Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
分子名称: ADP-ribosyltransferase, DIMETHYL SULFOXIDE, N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea, ...
著者Pozharski, E.
登録日2020-05-29
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
To Be Published
6P43
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BU of 6p43 by Molmil
Yeast cytochrome c peroxidase in complex with iso-1 cytochrome c (Y48K)
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Yee, E.F, Crane, B.R.
登録日2019-05-25
公開日2019-10-23
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.913 Å)
主引用文献Tuning Radical Relay Residues by Proton Management Rescues Protein Electron Hopping.
J.Am.Chem.Soc., 141, 2019
8BBU
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BU of 8bbu by Molmil
Crystal structure of medical leech destabilase (high salt)
分子名称: GLYCEROL, Lysozyme, MALONATE ION, ...
著者Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V.
登録日2022-10-14
公開日2023-02-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights into thrombolytic activity of destabilase from medicinal leech.
Sci Rep, 13, 2023
8BBW
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BU of 8bbw by Molmil
Crystal structure of medical leech destabilase (low salt)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme
著者Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V.
登録日2022-10-14
公開日2023-02-08
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into thrombolytic activity of destabilase from medicinal leech.
Sci Rep, 13, 2023
8TKU
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BU of 8tku by Molmil
ZIG-4-INS-6 complex, primitive monoclinic form
分子名称: Probable insulin-like peptide beta-type 5, Zwei Ig domain protein zig-4
著者Cheng, S, Baltrusaitis, E, Aziz, Z, Nawrocka, W.I, Ozkan, E.
登録日2023-07-25
公開日2024-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Nematode Extracellular Protein Interactome Expands Connections between Signaling Pathways.
Biorxiv, 2024
6WQZ
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BU of 6wqz by Molmil
Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery
分子名称: Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol
著者Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A.
登録日2020-04-29
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery.
Cell Rep, 31, 2020
6ZPT
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Crystal structure of the open conformation of S2_S'-mutant human Angiotensin-1 converting enzyme N-domain.
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2020-07-09
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
8BDO
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BU of 8bdo by Molmil
VCB in complex with compound 21
分子名称: (2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-19
公開日2023-02-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8BDS
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BU of 8bds by Molmil
Ternary complex between VCB, BRD4-BD1 and PROTAC 48
分子名称: (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.
登録日2022-10-20
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
8JT6
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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

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