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5WGQ
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BU of 5wgq by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1
Descriptor: ESTRADIOL, Estrogen receptor, SRC2-BCP1
Authors:Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W.
Deposit date:2017-07-14
Release date:2018-06-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A "cross-stitched" peptide with improved helicity and proteolytic stability.
Org. Biomol. Chem., 16, 2018
6U1N
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BU of 6u1n by Molmil
GPCR-Beta arrestin structure in lipid bilayer
Descriptor: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
Authors:Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
Deposit date:2019-08-16
Release date:2020-02-26
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
Descriptor: CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
5JUY
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BU of 5juy by Molmil
Active human apoptosome with procaspase-9
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Caspase-9, ...
Authors:Cheng, T.C, Hong, C, Akey, I.V, Yuan, S, Akey, C.W.
Deposit date:2016-05-10
Release date:2016-10-19
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A near atomic structure of the active human apoptosome.
Elife, 5, 2016
2LMD
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BU of 2lmd by Molmil
Minimal Constraints Solution NMR Structure of Prospero Homeobox protein 1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4660B
Descriptor: Prospero homeobox protein 1
Authors:Rossi, P, Lange, O.A, Lee, H, Maglaqui, M, Janjua, H, Ciccosanti, C, Zhao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-11-29
Release date:2011-12-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Proc.Natl.Acad.Sci.USA, 109, 2012
5GK9
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BU of 5gk9 by Molmil
Crystal structure of human HBO1 in complex with BRPF2
Descriptor: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Tao, Y, Zhu, J, Xu, S, Ding, J.
Deposit date:2016-07-04
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and mechanistic insights into regulation of HBO1 histone acetyltransferase activity by BRPF2.
Nucleic Acids Res., 45, 2017
8J8Z
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BU of 8j8z by Molmil
Structure of beta-arrestin1 in complex with D6Rpp
Descriptor: Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-02
Release date:2023-12-27
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
6UMZ
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BU of 6umz by Molmil
Crystal structure of photoactive yellow protein (PYP); 3-Br-p-coumaric acid chromophore
Descriptor: (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein
Authors:Lin, C.-Y, Romei, M.G, Boxer, S.G.
Deposit date:2019-10-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
6XTB
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BU of 6xtb by Molmil
Subunit BBS 5 of the human core BBSome complex
Descriptor: Bardet-Biedl syndrome 5 protein
Authors:Klink, B.U, Raunser, S, Gatsogiannis, C.
Deposit date:2020-01-15
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of the human BBSome core complex.
Elife, 9, 2020
7M0Y
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BU of 7m0y by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5WYK
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BU of 5wyk by Molmil
Cryo-EM structure of the 90S small subunit pre-ribosome (Mtr4-depleted, Enp1-TAP)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S ribosomal RNA, 40S ribosomal protein S1-A, ...
Authors:Ye, K, Zhu, X, Sun, Q.
Deposit date:2017-01-13
Release date:2017-03-29
Last modified:2017-05-17
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome.
Elife, 6, 2017
7M0Z
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BU of 7m0z by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ...
Authors:Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
Deposit date:2021-03-11
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
8DGT
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BU of 8dgt by Molmil
Cryo-EM structure of a RAS/RAF complex (state 2)
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
8DGS
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BU of 8dgs by Molmil
Cryo-EM structure of a RAS/RAF complex (state 1)
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Eck, M.J, Jeon, H, Park, E, Rawson, S.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of a RAS/RAF recruitment complex.
Nat Commun, 14, 2023
3SCH
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BU of 3sch by Molmil
Co(II)-HppE with R-HPP
Descriptor: COBALT (II) ION, Epoxidase, [(2R)-2-hydroxypropyl]phosphonic acid
Authors:Drennan, C.L.
Deposit date:2011-06-07
Release date:2011-07-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of regiospecificity of a mononuclear iron enzyme in antibiotic fosfomycin biosynthesis.
J.Am.Chem.Soc., 133, 2011
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G, D'Ambrosio, K.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
6ZR9
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BU of 6zr9 by Molmil
The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 7, ZINC ION
Authors:D'Ambrosio, K, De Simone, G, Di Fiore, A.
Deposit date:2020-07-11
Release date:2021-06-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021
6X6F
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BU of 6x6f by Molmil
The structure of Pf6r from the filamentous phage Pf6 of Pseudomonas aeruginosa PA01
Descriptor: NITRATE ION, Pf6r
Authors:Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A.
Deposit date:2020-05-28
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression.
Viruses, 13, 2021
8E5P
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BU of 8e5p by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 24 nt long RNA spacer, Mg-ADP-BeF3, and NusG; Rho hexamer part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C.
Deposit date:2022-08-22
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023
8E6W
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BU of 8e6w by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 18 nt long RNA spacer, lambda-tR1 rut RNA, Mg-ADP-BeF3, and NusG; Rho part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2022-08-23
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.27 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023
8E70
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BU of 8e70 by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 18 nt long RNA spacer, dC75 rut mimic RNA, Mg-ADP-BeF3, and NusG; Rho hexamer part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C, Ebright, R.H.
Deposit date:2022-08-23
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023
6X61
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BU of 6x61 by Molmil
Crystal structure of the N-terminal thioredoxin domain of SasA in complex with the N-terminal CI domain of KaiC from Thermosynchococcus elongatus
Descriptor: Adaptive-response sensory-kinase SasA, Circadian clock protein kinase KaiC, PHOSPHATE ION
Authors:Swan, J.A, Tripathi, S.M, Partch, C.L.
Deposit date:2020-05-27
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reconstitution of an intact clock reveals mechanisms of circadian timekeeping.
Science, 374, 2021
8FY0
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BU of 8fy0 by Molmil
E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)
Descriptor: Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ...
Authors:Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D.
Deposit date:2023-01-25
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
8E5L
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BU of 8e5l by Molmil
Escherichia coli Rho-dependent transcription pre-termination complex containing 21 nt long RNA spacer, Mg-ADP-BeF3, and NusG; Rho hexamer part
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Molodtsov, V, Wang, C.
Deposit date:2022-08-22
Release date:2022-09-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of Rho-dependent transcription termination.
Nature, 614, 2023

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数据于2024-09-11公开中

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