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7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-23
公開日2022-03-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
8J03
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BU of 8j03 by Molmil
Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state I
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
著者Ma, D, Li, D, Guo, J.
登録日2023-04-09
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
分子名称: Lysine-specific demethylase REF6, ZINC ION
著者Tian, Z, Chen, Z.
登録日2018-06-22
公開日2019-06-26
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
分子名称: Lysine-specific demethylase REF6, ZINC ION
著者Tian, Z, Chen, Z.
登録日2018-06-22
公開日2019-06-26
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
8XKL
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BU of 8xkl by Molmil
Structure of ACPII-CCPII from cryptophyte algae
分子名称: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
著者Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
登録日2023-12-23
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
分子名称: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
著者Tian, Z, Chen, Z.
登録日2018-06-22
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
5ZC3
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BU of 5zc3 by Molmil
The Crystal Structure of PcRxLR12
分子名称: RxLR effector
著者Zhao, L, Zhang, X, Zhu, C.
登録日2018-02-14
公開日2018-08-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Crystal structure of the RxLR effector PcRxLR12 from Phytophthora capsici
Biochem. Biophys. Res. Commun., 503, 2018
6IR5
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BU of 6ir5 by Molmil
P domain of GII.3-TV24
分子名称: VP1 Capsid protein
著者Yang, Y.
登録日2018-11-10
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
6IS5
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BU of 6is5 by Molmil
P domain of GII.3-TV24 with A-tetrasaccharide complex
分子名称: VP1 Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Yang, Y.
登録日2018-11-15
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
7CWQ
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BU of 7cwq by Molmil
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
分子名称: DLH domain-containing protein, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-08-30
公開日2021-05-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
5AYG
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BU of 5ayg by Molmil
Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g
分子名称: 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma
著者Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T.
登録日2015-08-20
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
7CY0
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BU of 7cy0 by Molmil
Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis
分子名称: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-09-03
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
8ZEE
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BU of 8zee by Molmil
Cryo-EM structure of an intermediate-state PSII-PRF2' complex during the process of photosystem II repair
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, A, Liu, Z.
登録日2024-05-06
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for an early stage of the photosystem II repair cycle in Chlamydomonas reinhardtii.
Nat Commun, 15, 2024
6J0Q
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BU of 6j0q by Molmil
Crystal structure of P domain from GII.11 swine norovirus
分子名称: VP1 capsid protein
著者Chen, Y.
登録日2018-12-25
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
5BS6
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BU of 5bs6 by Molmil
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
分子名称: 1,2-ETHANEDIOL, transcriptional regulator AraR
著者Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-06-01
公開日2015-06-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
5CZ5
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BU of 5cz5 by Molmil
Yeast 20S proteasome beta1-T1A mutant in complex with Carfilzomib
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-07-31
公開日2016-03-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5D0W
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BU of 5d0w by Molmil
Yeast 20S proteasome beta5-T1S mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2015-08-03
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
5DB1
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BU of 5db1 by Molmil
Menin in complex with MI-336
分子名称: 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
6UFA
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BU of 6ufa by Molmil
S4 symmetric peptide design number 1, Tim zinc-bound form
分子名称: S4-1, Tim, Zinc-bound form, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG2
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BU of 6ug2 by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 2
分子名称: C2-1, Zappy, crystal form 2, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG6
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BU of 6ug6 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 2
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF4
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BU of 6uf4 by Molmil
S2 symmetric peptide design number 4 crystal form 2, Pugsley
分子名称: S2-4, Pusgley crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF9
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BU of 6uf9 by Molmil
S4 symmetric peptide design number 1, Tim apo form
分子名称: S4-1, Tim apo-form, SULFATE ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDW
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BU of 6udw by Molmil
S2 symmetric peptide design number 3 crystal form 2, Lurch
分子名称: S2-3, Lurch crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020

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