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6UF8
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BU of 6uf8 by Molmil
S2 symmetric peptide design number 6, London Bridge
Descriptor: S2-6, London Bridge
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
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UFU
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BU of 6ufu by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 1
Descriptor: C2-1, Zappy, crystal form 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
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG3
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BU of 6ug3 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 1
Descriptor: C3-1, Sporty, crystal form 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
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UGC
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BU of 6ugc by Molmil
C3 symmetric peptide design number 3
Descriptor: C3-3 cyclic peptide design, CADMIUM ION, SODIUM ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-26
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
5WTJ
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BU of 5wtj by Molmil
Crystal structure of an endonuclease
Descriptor: CRISPR-associated endoribonuclease C2c2
Authors:Liu, L, Wang, Y.
Deposit date:2016-12-13
Release date:2017-02-08
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
6UDR
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BU of 6udr by Molmil
S2 symmetric peptide design number 3 crystal form 1, Lurch
Descriptor: S2-3, Lurch crystal form 1
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:2020-12-02
Method:X-RAY DIFFRACTION (1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
5TJ8
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BU of 5tj8 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed)
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
7E6Q
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BU of 7e6q by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO0
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BU of 8po0 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
Descriptor: 1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.523 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7BTK
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BU of 7btk by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01
Descriptor: 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y.
Deposit date:2020-04-01
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence.
Angew.Chem.Int.Ed.Engl., 60, 2021
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
Descriptor: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Harris, S.F, Oh, A.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4KY9
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BU of 4ky9 by Molmil
Structural and Functional Analysis of a Putative Substrate Access Tunnel in the Cytosolic Domain of Human Anion Exchanger 1
Descriptor: Band 3 anion transport protein
Authors:Shnitsar, V, Calmettes, C, Reithmeier, R.A.F, Moraes, T.F.
Deposit date:2013-05-28
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A substrate access tunnel in the cytosolic domain is not an essential feature of the solute carrier 4 (SLC4) family of bicarbonate transporters.
J.Biol.Chem., 288, 2013
5WTK
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BU of 5wtk by Molmil
Crystal structure of RNP complex
Descriptor: CRISPR-associated endoribonuclease C2c2, RNA (58-MER)
Authors:Liu, L, Wang, Y.
Deposit date:2016-12-13
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities
Cell, 168, 2017
6MSE
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BU of 6mse by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-11-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
6MSB
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BU of 6msb by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
6MSK
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BU of 6msk by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-11-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
6MSH
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BU of 6msh by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-11-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
6N6B
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BU of 6n6b by Molmil
The complex crystal structure of neuraminidase from A/Minnesota/11/2010 with B10 antibody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, B10 antibody Heavy Chain Fab, B10 antibody Light Chain Fab, ...
Authors:Yang, H, Stevens, J.
Deposit date:2018-11-26
Release date:2019-07-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The neuraminidase of A(H3N2) influenza viruses circulating since 2016 is antigenically distinct from the A/Hong Kong/4801/2014 vaccine strain.
Nat Microbiol, 4, 2019
7CH1
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BU of 7ch1 by Molmil
The overall structure of SLC26A9
Descriptor: CHLORIDE ION, SODIUM ION, Solute carrier family 26 member 9
Authors:Chi, X.M, Chen, Y, Li, X.R, Zhang, Y.Y, Zhou, Q.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence.
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
6O6L
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BU of 6o6l by Molmil
The Structure of EgtB(Cabther) in complex with Hercynine
Descriptor: EgtB (Cabther), FE (III) ION, N,N,N-trimethyl-histidine
Authors:Irani, S, Zhang, Y.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
6MSD
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BU of 6msd by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Mao, Y.D.
Deposit date:2018-10-16
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
Descriptor: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-19
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023

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