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7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
Descriptor: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol
Authors:Ma, D, Li, D, Guo, J.
Deposit date:2023-04-09
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: (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, ...
Authors:Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
Deposit date:2023-12-23
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite: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
Descriptor: 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, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: RxLR effector
Authors:Zhao, L, Zhang, X, Zhu, C.
Deposit date:2018-02-14
Release date:2018-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.005 Å)
Cite: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
Descriptor: VP1 Capsid protein
Authors:Yang, Y.
Deposit date:2018-11-10
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors:Yang, Y.
Deposit date:2018-11-15
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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
Descriptor: DLH domain-containing protein, SULFATE ION
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-08-30
Release date:2021-05-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2015-05-13
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma
Authors:Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T.
Deposit date:2015-08-20
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
Authors:Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2020-09-03
Release date:2021-05-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, A, Liu, Z.
Deposit date:2024-05-06
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: VP1 capsid protein
Authors:Chen, Y.
Deposit date:2018-12-25
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, transcriptional regulator AraR
Authors:Chang, C, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-01
Release date:2015-06-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-07-31
Release date:2016-03-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-08-03
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: S4-1, Tim, Zinc-bound form, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (0.77 Å)
Cite: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
Descriptor: C2-1, Zappy, crystal form 2, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: S2-4, Pusgley crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: S4-1, Tim apo-form, SULFATE ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: S2-3, Lurch crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020

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