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6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: SULFATE ION, a novel designed pore protein, affinity purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-12-05
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
6TJ1
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BU of 6tj1 by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: De novo designed WSHC6, purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-11-23
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
7T3N
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BU of 7t3n by Molmil
R184Q/E191Q mutant of rat vesicular glutamate transporter 2 (VGLUT2)
Descriptor: (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID, (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Vesicular glutamate transporter 2
Authors:Li, F, Stroud, R.M, Edwards, R.H.
Deposit date:2021-12-08
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Substrate Recognition, Directional Flux, and Allostery in a Synaptic Vesicle Glutamate Transporter
To Be Published
7T3O
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BU of 7t3o by Molmil
Rat vesicular glutamate transporter 2 (VGLUT2) in low Cl condition
Descriptor: Vesicular glutamate transporter 2
Authors:Li, F, Stroud, R.M, Edwards, R.H.
Deposit date:2021-12-08
Release date:2022-12-14
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Substrate Recognition, Directional Flux, and Allostery in a Synaptic Vesicle Glutamate Transporter
To Be Published
6M6Z
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BU of 6m6z by Molmil
A de novo designed transmembrane nanopore, TMH4C4
Descriptor: TMH4C4
Authors:Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D.
Deposit date:2020-03-16
Release date:2020-06-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
7YSV
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BU of 7ysv by Molmil
GluK1-1a extracellular domain captured in SYM2081 bound desensitized state
Descriptor: Glutamate receptor
Authors:Dhingra, S, Kumar, J.
Deposit date:2022-08-13
Release date:2023-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (8.01 Å)
Cite:Functional Implications of the Exon 9 Splice Insert in GluK1 Kainate Receptors
Elife, 2023
7YSJ
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BU of 7ysj by Molmil
GluK1-1a in nanodisc captured in SYM2081 bound desensitized state
Descriptor: Glutamate receptor
Authors:Dhingra, S, Kumar, J.
Deposit date:2022-08-12
Release date:2023-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Functional Implications of the Exon 9 Splice Insert in GluK1 Kainate Receptors
Elife, 2023
6JR0
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BU of 6jr0 by Molmil
Crystal structure of the human nucleosome phased with 12 selenium atoms
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Saotome, M, Horikoshi, N, Urano, K, Kujirai, T, Yuzurihara, H, Kurumizaka, H, Kagawa, W.
Deposit date:2019-04-02
Release date:2019-10-02
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure determination of the nucleosome core particle by selenium SAD phasing.
Acta Crystallogr D Struct Biol, 75, 2019
6JR1
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BU of 6jr1 by Molmil
Crystal structure of the human nucleosome phased with 16 selenium atoms
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Saotome, M, Horikoshi, N, Urano, K, Kujirai, T, Yuzurihara, H, Kurumizaka, H, Kagawa, W.
Deposit date:2019-04-02
Release date:2019-10-02
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure determination of the nucleosome core particle by selenium SAD phasing.
Acta Crystallogr D Struct Biol, 75, 2019
4D1E
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BU of 4d1e by Molmil
THE CRYSTAL STRUCTURE OF HUMAN MUSCLE ALPHA-ACTININ-2
Descriptor: ALPHA-ACTININ-2
Authors:Pinotsis, N, Salmazo, A, Sjoeblom, B, Gkougkoulia, E, Djinovic-Carugo, K.
Deposit date:2014-05-01
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Structure and Regulation of Human Muscle Alpha-Actinin
Cell(Cambridge,Mass.), 159, 2014
3G76
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BU of 3g76 by Molmil
Crystal structure of XIAP-BIR3 in complex with a bivalent compound
Descriptor: 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M.
Deposit date:2009-02-09
Release date:2009-05-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for bivalent smac-mimetics recognition in the IAP protein family
J.Mol.Biol., 392, 2009
7N3N
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BU of 7n3n by Molmil
CryoEM structure of human NKCC1 state Fu-I
Descriptor: 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2
Authors:Moseng, M.A.
Deposit date:2021-06-01
Release date:2022-09-28
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
5OBX
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BU of 5obx by Molmil
Mycoplasma genitalium DnaK-NBD
Descriptor: Chaperone protein DnaK, GLYCEROL, SULFATE ION, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBW
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BU of 5obw by Molmil
Mycoplasma genitalium DnaK-NBD in complex with ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5OBY
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BU of 5oby by Molmil
Mycoplasma genitalium DnaK-NBD in complex with AMP-PNP
Descriptor: Chaperone protein DnaK, GLYCEROL, MAGNESIUM ION, ...
Authors:Adell, M, Calisto, B, Fita, I, Martinelli, L.
Deposit date:2017-06-29
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
5EZ0
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BU of 5ez0 by Molmil
CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE PDZ BINDING MOTIF OF THE MITOGEN ACTIVATED PROTEIN KINASE P38GAMMA.
Descriptor: Mitogen-activated protein kinase 12, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 4
Authors:Maisonneuve, P, Vaney, M.C, Caillet-Saguy, C, Lafon, M, Delepierre, M, Cordier, F, Wolff, N.
Deposit date:2015-11-26
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular Basis of the Interaction of the Human Protein Tyrosine Phosphatase Non-receptor Type 4 (PTPN4) with the Mitogen-activated Protein Kinase p38 gamma.
J.Biol.Chem., 291, 2016
2VAF
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BU of 2vaf by Molmil
Crystal structure of Human Cardiac Calsequestrin
Descriptor: CALSEQUESTRIN-2
Authors:Kim, E, Youn, B, Kemper, L, Campbell, C, Milting, H, Varsanyi, M, Kang, C.
Deposit date:2007-08-31
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Characterization of Human Cardiac Calsequestrin and its Deleterious Mutants.
J.Mol.Biol., 373, 2007
1QPF
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BU of 1qpf by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-709,858
Descriptor: C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN), heptyl beta-D-glucopyranoside
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-24
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
1QPL
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BU of 1qpl by Molmil
FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587
Descriptor: C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN)
Authors:Becker, J.W, Rotonda, J.
Deposit date:1999-05-25
Release date:1999-08-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein.
J.Med.Chem., 42, 1999
4W8L
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BU of 4w8l by Molmil
Structure of GH10 from Paenibacillus barcinonensis
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase C, GLYCEROL
Authors:Sainz-Polo, M.A, Sanz-Aparicio, J.
Deposit date:2014-08-25
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
4Y1H
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BU of 4y1h by Molmil
Crystal structure of K33 linked tri-Ubiquitin
Descriptor: 1,2-ETHANEDIOL, Ubiquitin-40S ribosomal protein S27a
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y.
Deposit date:2015-02-07
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations.
Biochem.J., 467, 2015
8DTY
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BU of 8dty by Molmil
Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under closed-state conditions
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Iyer, K.A, Hu, Y, Murayama, T, Samso, M.
Deposit date:2022-07-26
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under closed-state conditions
To Be Published
8DVV
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BU of 8dvv by Molmil
Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under open-state conditions
Descriptor: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
Authors:Iyer, K.A, Hu, Y, Murayama, T, Samso, M.
Deposit date:2022-07-29
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Recombinant mouse RyR2 triple phosphomimetic mutant S2807D/S2813D/S2030D in complex with FKBP12.6 and nanodisc under open-state conditions
To Be Published
8DTZ
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BU of 8dtz by Molmil
Recombinant mouse RyR2 triple phosphonull mutant S2807A/S2813A/S2030A in complex with FKBP12.6 and nanodisc under closed-state conditions
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Iyer, K.A, Hu, Y, Murayama, T, Samso, M.
Deposit date:2022-07-26
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Recombinant mouse RyR2 triple phosphonull mutant S2807A/S2813A/S2030A in complex with FKBP12.6 and nanodisc under closed-state conditions
To Be Published
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
Descriptor: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
Authors:Oakley, A.J.
Deposit date:2019-07-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020

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