5DMI
 
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6SYJ
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4MY6
 | | EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH | | Descriptor: | (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog | | Authors: | Barone, M, Roske, Y, Kuehne, R. | | Deposit date: | 2013-09-27 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2GTO
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2GTJ
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2KLR
 | | Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers | | Descriptor: | Alpha-crystallin B chain | | Authors: | Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H. | | Deposit date: | 2009-07-08 | | Release date: | 2010-07-07 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.
Nat.Struct.Mol.Biol., 17, 2010
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1QGP
 | | NMR STRUCTURE OF THE Z-ALPHA DOMAIN OF ADAR1, 15 STRUCTURES | | Descriptor: | PROTEIN (DOUBLE STRANDED RNA ADENOSINE DEAMINASE) | | Authors: | Schade, M, Turner, C.J, Kuehne, R, Schmieder, P, Lowenhaupt, K, Herbert, A, Rich, A, Oschkinat, H. | | Deposit date: | 1999-05-03 | | Release date: | 1999-10-19 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the Zalpha domain of the human RNA editing enzyme ADAR1 reveals a prepositioned binding surface for Z-DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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1M7K
 | | Solution Structure of the SODD BAG Domain | | Descriptor: | Silencer of Death Domains | | Authors: | Brockmann, C, Leitner, D, Labudde, D, Diehl, A, Sievert, V, Buessow, K, Oschkinat, H. | | Deposit date: | 2002-07-22 | | Release date: | 2002-08-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the SODD BAG domain reveals additional electrostatic interactions in the HSP70 complexes of SODD subfamily BAG domains
Febs Lett., 558, 2004
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3J07
 | | Model of a 24mer alphaB-crystallin multimer | | Descriptor: | Alpha-crystallin B chain | | Authors: | Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E. | | Deposit date: | 2011-04-27 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING | | Cite: | N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2JNU
 | | Solution structure of the RGS domain of human RGS14 | | Descriptor: | Regulator of G-protein signaling 14 | | Authors: | Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-02-02 | | Release date: | 2007-02-27 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2N0K
 | | Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5 | | Descriptor: | Alpha-crystallin B chain | | Authors: | Rajagopal, P, Klevit, R.E, Shi, L, Baker, D. | | Deposit date: | 2015-03-09 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
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