1R86
| Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic form): The E159A/E265A mutant at 1.8A resolution | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, SULFATE ION, ... | Authors: | Bar, M, Golan, G, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2003-10-23 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic
form): The E159A/E265A mutant at 1.8A resolution To be Published
|
|
3CUY
| Crystal Structure of GumK mutant D157A | Descriptor: | Glucuronosyltransferase GumK | Authors: | Barreras, M. | Deposit date: | 2008-04-17 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of GumK, a membrane-associated glucuronosyltransferase. J.Biol.Chem., 283, 2008
|
|
6XXR
| 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
|
|
7AKI
| 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
|
|
6XVT
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2 | Descriptor: | ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 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
| 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
|
|
5NBF
| 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
| 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
|
|
5ND0
| 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
|
|
5NC2
| 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
|
|
5NC7
| 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
|
|
5NDU
| 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
|
|
5NEG
| 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
| 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
|
|
5NBX
| 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
|
|
5N91
| 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
|
|
5NCG
| 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
|
|
5I6A
| bicyclo[3.3.2]decapeptide | Descriptor: | ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE | Authors: | Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-16 | Release date: | 2016-03-09 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (0.813 Å) | Cite: | Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide Arkivoc, 2014, 2014
|
|
6RCF
| 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
| 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
| 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
|
|
5N9C
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH | Descriptor: | Ac-[2-Cl-F]-PP-[ProM-1]-OH, GLYCEROL, NITRATE ION, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-02-24 | Release date: | 2017-06-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 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
|
|
5NCF
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH | Descriptor: | (1~{S},4~{S},7~{R},10~{R})-14-[(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-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid, GLYCEROL, NITRATE ION, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-03-04 | Release date: | 2017-06-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 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
|
|
5N9P
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-NH2 | Descriptor: | Ac-[2-Cl-F]-PP-[ProM-1]-NH2, CHLORIDE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2017-02-26 | Release date: | 2017-06-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 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
|
|
1L7Z
| Crystal structure of Ca2+/Calmodulin complexed with myristoylated CAP-23/NAP-22 peptide | Descriptor: | CALCIUM ION, CALMODULIN, CAP-23/NAP-22, ... | Authors: | Matsubara, M, Nakatsu, T, Yamauchi, E, Kato, H, Taniguchi, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-18 | Release date: | 2003-09-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a myristoylated CAP-23/NAP-22 N-terminal domain complexed with Ca2+/calmodulin EMBO J., 23, 2004
|
|