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6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
分子名称: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
著者Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
登録日2019-09-04
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
8JZS
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BU of 8jzs by Molmil
Outward-facing SLC15A4 dimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZU
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BU of 8jzu by Molmil
SLC15A4_TASL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZR
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BU of 8jzr by Molmil
Outward_facing SLC15A4 monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag
著者Zhang, S.S, Chen, X.D, Xie, M.
登録日2023-07-06
公開日2023-09-27
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
6AKW
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BU of 6akw by Molmil
Crystal structure of RNA dioxygenase bound with an inhibitor
分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
著者Yang, C.-G, Huang, Y, Gan, J.
登録日2018-09-04
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-09
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Monteltione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-03-14
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
3IKD
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BU of 3ikd by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Matthews, D, Greasley, S, Ferre, R, Parge, H.
登録日2009-08-05
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
登録日2009-08-05
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IKG
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BU of 3ikg by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
分子名称: (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Parge, H, Ferre, R.A, Greasley, S, Matthews, D.
登録日2009-08-05
公開日2009-09-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
5W1R
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BU of 5w1r by Molmil
Cryo-EM structure of DNAPKcs
分子名称: DNA-dependent protein kinase catalytic subunit
著者Sharif, H, Li, Y, Wu, H.
登録日2017-06-04
公開日2017-07-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of the DNA-PK holoenzyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8OOR
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BU of 8oor by Molmil
CryoEM Structure INO80core Hexasome complex Rvb core refinement state2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-05
公開日2023-07-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOT
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BU of 8oot by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 Ies6 refinement state2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling complex subunit IES6, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-05
公開日2023-07-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOS
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BU of 8oos by Molmil
CryoEM Structure INO80core Hexasome complex ATPase-hexasome refinement state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromatin-remodeling ATPase Ino80, DNA Strand 2, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-05
公開日2023-07-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOC
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BU of 8ooc by Molmil
CryoEM Structure INO80core Hexasome complex Rvb core refinement state1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Chromatin-remodeling ATPase Ino80, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-05
公開日2023-08-02
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
5VFI
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BU of 5vfi by Molmil
Bruton's tyrosine kinase (BTK) with GDC-0853
分子名称: 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ...
著者Steinbacher, S, Eigenbrot, C.
登録日2017-04-07
公開日2018-02-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.
J. Med. Chem., 61, 2018
6M02
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BU of 6m02 by Molmil
cryo-EM structure of human Pannexin 1 channel
分子名称: Pannexin-1
著者Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z.
登録日2020-02-19
公開日2020-03-25
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of human heptameric Pannexin 1 channel.
Cell Res., 30, 2020
4GEH
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BU of 4geh by Molmil
Crystal structure of MST4 dimerization domain complex with PDCD10
分子名称: Programmed cell death protein 10, Serine/threonine-protein kinase MST4
著者Zhang, M, Shi, Z.B, Zhou, Z.C.
登録日2012-08-02
公開日2013-04-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural mechanism of CCM3 heterodimerization with GCKIII kinases
Structure, 21, 2013

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