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8HC9
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BU of 8hc9 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down)
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, Heavy chain of YB13-292 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.03 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
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, Heavy chain of YB9-258 Fab, ...
著者Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
登録日2022-11-01
公開日2023-01-25
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (6.21 Å)
主引用文献Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
6UUO
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BU of 6uuo by Molmil
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
分子名称: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F.
登録日2019-10-30
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.288 Å)
主引用文献Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
5I5H
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BU of 5i5h by Molmil
Ecoli global domain 245-586
分子名称: Inner membrane protein YejM
著者Dong, C, Dong, H.
登録日2016-02-15
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I5D
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BU of 5i5d by Molmil
Salmonella global domain 245
分子名称: Inner membrane protein YejM
著者Dong, C, Dong, H.
登録日2016-02-15
公開日2017-04-19
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5I5F
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BU of 5i5f by Molmil
Salmonella global domain 191
分子名称: Inner membrane protein YejM
著者Dong, C, Dong, H.
登録日2016-02-15
公開日2016-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
5IBK
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BU of 5ibk by Molmil
Skp1-F-box in complex with a ubiquitin variant
分子名称: F-box/WD repeat-containing protein 7, Polyubiquitin-B, S-phase kinase-associated protein 1,S-phase kinase-associated protein 1
著者Orlicky, S, Sicheri, F.
登録日2016-02-22
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Inhibition of SCF ubiquitin ligases by engineered ubiquitin variants that target the Cul1 binding site on the Skp1-F-box interface.
Proc.Natl.Acad.Sci.USA, 113, 2016
7M2K
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BU of 7m2k by Molmil
CDC34A-Ubiquitin-2ab inhibitor complex
分子名称: 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1
著者Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F.
登録日2021-03-16
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex.
Sci Adv, 7, 2021
4GEK
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BU of 4gek by Molmil
Crystal Structure of wild-type CmoA from E.coli
分子名称: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, SULFATE ION, tRNA (cmo5U34)-methyltransferase
著者Kim, J, Toro, R, Bonanno, J.B, Bhosle, R, Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-08-02
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-guided discovery of the metabolite carboxy-SAM that modulates tRNA function
Nature, 498, 2013
4FHZ
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BU of 4fhz by Molmil
Crystal structure of a carboxyl esterase at 2.0 angstrom resolution
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4HEX
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BU of 4hex by Molmil
A novel conformation of calmodulin
分子名称: CALCIUM ION, Calmodulin, ZINC ION
著者Kumar, V, Chichili, V.P.R, Sivaraman, J.
登録日2012-10-04
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献A novel trans conformation of ligand-free calmodulin
Plos One, 8, 2013
4E53
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BU of 4e53 by Molmil
Calmodulin and Nm peptide complex
分子名称: Calmodulin, Linker, IQ motif of Neuromodulin
著者Kumar, V, Sivaraman, J.
登録日2012-03-13
公開日2013-03-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
4E50
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BU of 4e50 by Molmil
Calmodulin and Ng peptide complex
分子名称: Calmodulin, Linker, IQ motif of Neurogranin
著者Kumar, V, Sivaraman, J.
登録日2012-03-13
公開日2013-03-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-28
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
4NKG
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BU of 4nkg by Molmil
Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain
分子名称: E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1
著者Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
登録日2013-11-12
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
4NKH
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BU of 4nkh by Molmil
Crystal structure of SspH1 LRR domain
分子名称: E3 ubiquitin-protein ligase sspH1
著者Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
登録日2013-11-12
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
分子名称: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
4QLB
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BU of 4qlb by Molmil
Structural Basis for the Recruitment of Glycogen Synthase by Glycogenin
分子名称: GLYCEROL, Probable glycogen [starch] synthase, Protein GYG-1, ...
著者Zeqiraj, E, Judd, A, Sicheri, F.
登録日2014-06-11
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the recruitment of glycogen synthase by glycogenin.
Proc.Natl.Acad.Sci.USA, 111, 2014
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
分子名称: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
著者Chen, Y.H, Qu, L.Z.
登録日2022-09-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7DEK
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BU of 7dek by Molmil
Pseudomonas aeruginosa FK506-binding protein PaFkbA
分子名称: Peptidyl-prolyl cis-trans isomerase
著者Ynag, J, Huang, Q, Bao, R.
登録日2020-11-04
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural characterization of PaFkbA: A periplasmic chaperone from Pseudomonas aeruginosa .
Comput Struct Biotechnol J, 19, 2021
5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
著者Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
登録日2018-04-02
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5YVP
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BU of 5yvp by Molmil
Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU
分子名称: CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-27
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5YVK
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BU of 5yvk by Molmil
Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903
分子名称: CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-26
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.292 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5Z53
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Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro
分子名称: 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-01-16
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018

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