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7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
Descriptor: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
Descriptor: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
4OV5
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BU of 4ov5 by Molmil
Structure of HLA-DR1 with a bound peptide with non-optimal alanine in the P1 pocket
Descriptor: HLA class I histocompatibility antigen, A-2 alpha chain, HLA class II histocompatibility antigen, ...
Authors:Trenh, P, Yin, L, Stern, L.J.
Deposit date:2014-02-20
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Susceptibility to HLA-DM Protein Is Determined by a Dynamic Conformation of Major Histocompatibility Complex Class II Molecule Bound with Peptide.
J.Biol.Chem., 289, 2014
6XXR
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BU of 6xxr by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2
Descriptor: Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Le Cong, K, Roske, Y.
Deposit date:2020-01-28
Release date:2020-11-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
7A5M
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BU of 7a5m by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
Descriptor: Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2020-08-21
Release date:2020-10-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.78 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
7AKI
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BU of 7aki by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2020-10-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RCF
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BU of 6rcf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
Descriptor: 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RCJ
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BU of 6rcj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
Descriptor: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RD2
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BU of 6rd2 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2019-04-12
Release date:2020-05-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NBF
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BU of 5nbf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-OH
Descriptor: (3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-01
Release date:2017-05-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NAJ
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BU of 5naj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-1]-[ProM-1]-OH
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, CHLORIDE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-02-28
Release date:2017-05-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NCG
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BU of 5ncg by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-9]-OH
Descriptor: (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-04
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5N91
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BU of 5n91 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPP-OH
Descriptor: Ac-[2-Cl-F]-PPPP-OH, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2017-02-24
Release date:2017-06-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NC2
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BU of 5nc2 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEL-NH2
Descriptor: Ac-[2-Cl-F]PPPPTEDEL-NH2, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5ND0
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BU of 5nd0 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-TEDEL-NH2
Descriptor: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NBX
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BU of 5nbx by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-OH
Descriptor: ACY-2L5-PRO-PRO-8SN, BROMIDE ION, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-02
Release date:2018-03-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NDU
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BU of 5ndu by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OMe
Descriptor: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-09
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NC7
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BU of 5nc7 by Molmil
ENAH EVH1 in complex with Ac-WPPPPTEDEL-NH2
Descriptor: ActA-derived 10-mer Ac-FPPPPTEDEL-NH2 with acetylated (Ac) and amidated (NH2) termini. Phe is substitued by Trp to increase affinity for crystallization, Protein enabled homolog
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-03
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NEG
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BU of 5neg by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt
Descriptor: NITRATE ION, Protein enabled homolog, SULFATE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-10
Release date:2018-03-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NCP
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BU of 5ncp by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-12]-OH
Descriptor: (3~{S},7~{R},10~{R},13~{R})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-06
Release date:2018-03-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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