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8HR1
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BU of 8hr1 by Molmil
Cryo-EM structure of SSX1 bound to the unmodified nucleosome at a resolution of 3.02 angstrom
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:Zebin, T, Ai, H.S, Ziyu, X, Man, P, Liu, L.
Deposit date:2022-12-14
Release date:2023-09-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes.
Nat.Struct.Mol.Biol., 31, 2024
6U32
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BU of 6u32 by Molmil
Crystal structure of HaloTag bound to tetramethylrhodamine-HaloTag ligand
Descriptor: 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium, CHLORIDE ION, HaloTag
Authors:Berro, A.J, Schreiter, E.R.
Deposit date:2019-08-21
Release date:2020-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
6U2M
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BU of 6u2m by Molmil
Crystal structure of a HaloTag-based calcium indicator, HaloCaMP V2, bound to JF635
Descriptor: (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium, CALCIUM ION, CHLORIDE ION, ...
Authors:Deo, C, Schreiter, E.R.
Deposit date:2019-08-20
Release date:2020-09-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The HaloTag as a general scaffold for far-red tunable chemigenetic indicators.
Nat.Chem.Biol., 17, 2021
7DB7
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BU of 7db7 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001
Descriptor: 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DAW
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BU of 7daw by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase
Descriptor: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DB8
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BU of 7db8 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
Descriptor: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
8Y6C
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BU of 8y6c by Molmil
Norovirus GII.10 P domain and 2'-FL (powder)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GII.10 norovirus P domain in complex with 2'FL (powder), ...
Authors:Hansman, G, Tame, J.R.H, Kher, G, Pancera, M.
Deposit date:2024-02-02
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Norovirus GII.10 P domain and 2'-FL (powder)
To Be Published
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7EL8
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BU of 7el8 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase
Descriptor: Tryptophan--tRNA ligase
Authors:Xu, M, Chen, S.
Deposit date:2021-04-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENS
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BU of 7ens by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Indolmycin and ATP
Descriptor: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-04-19
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ELT
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BU of 7elt by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Trp-AMP
Descriptor: TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase
Authors:Xu, M, Chen, S.
Deposit date:2021-04-12
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENT
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BU of 7ent by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 and ATP
Descriptor: (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-04-19
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EV3
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BU of 7ev3 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP
Descriptor: (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-05-20
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EV2
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BU of 7ev2 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP
Descriptor: (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-05-20
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
5K5B
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BU of 5k5b by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ...
Authors:Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S.
Deposit date:2016-05-23
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5LBR
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BU of 5lbr by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-17
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
5L8M
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BU of 5l8m by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-08
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
9AXS
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BU of 9axs by Molmil
Crystal Structure of HY18-5B1_Ch Fab in the Apo Conformation
Descriptor: GLYCEROL, HY18-5B1_Ch Fab Heavy Chain, HY18-5B1_Ch Fab Light Chain
Authors:McGovern, M.R, Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9AXQ
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BU of 9axq by Molmil
Crystal Structure of HY11-7E1_Hu3 Fab in the Apo Conformation
Descriptor: ACETATE ION, HY11-7E1_Hu3 Fab Heavy Chain, HY11-7E1_Hu3 Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M, Hannon, B.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9AXP
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BU of 9axp by Molmil
Crystal Structure of HY11-7E1_Hu3 Fab in Complex with Carfentanil
Descriptor: ACETATE ION, HY11-7E1_Hu3 Fab Heavy Chain, HY11-7E1_Hu3 Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9AXR
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BU of 9axr by Molmil
Crystal Structure of HY18-5B1_Ch Fab in Complex with Fentanyl
Descriptor: HY18-5B1_Ch Fab Heavy Chain, HY18-5B1_Ch Fab Light Chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:McGovern, M.R, Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9AXO
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BU of 9axo by Molmil
Crystal Structure of Antibody HY11-7E1_Ch2 Fab in Complex with Fentanyl
Descriptor: GLYCEROL, HY11-7E1_Ch2 Fab Heavy Chain, HY11-7E1_Ch2 Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
9AXN
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BU of 9axn by Molmil
Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl
Descriptor: 1,2-ETHANEDIOL, HY11-6B2_Mu Fab Heavy Chain, HY11-6B2_Mu Fab Light Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2024-03-06
Release date:2024-10-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based engineering of monoclonal antibodies against fentanyl and carfentanil for improved binding
To Be Published
6YOE
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BU of 6yoe by Molmil
Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020

226707

數據於2024-10-30公開中

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