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5NEG
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BU of 5neg by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-13]-OEt
分子名称: NITRATE ION, Protein enabled homolog, SULFATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-03-10
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献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
分子名称: ACY-2L5-PRO-PRO-8SN, BROMIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-03-02
公開日2018-03-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: (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, ...
著者Barone, M, Roske, Y.
登録日2017-03-06
公開日2018-03-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Roske, Y.
登録日2017-03-09
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
分子名称: (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, ...
著者Barone, M, Roske, Y.
登録日2017-02-28
公開日2017-05-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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
分子名称: Ac-[2-Cl-F]-PPPP-OH, NITRATE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-02-24
公開日2017-06-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: (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
著者Barone, M, Roske, Y.
登録日2017-03-04
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献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
分子名称: 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Roske, Y.
登録日2017-03-07
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: Ac-[2-Cl-F]PPPPTEDEL-NH2, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Roske, Y.
登録日2017-03-03
公開日2018-03-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献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
分子名称: (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, ...
著者Barone, M, Roske, Y.
登録日2017-03-01
公開日2017-05-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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
5IRE
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BU of 5ire by Molmil
The cryo-EM structure of Zika Virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein
著者Sirohi, D, Chen, Z, Sun, L, Klose, T, Pierson, T, Rossmann, M, Kuhn, R.
登録日2016-03-13
公開日2016-03-30
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The 3.8 angstrom resolution cryo-EM structure of Zika virus.
Science, 352, 2016
5NCF
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BU of 5ncf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-OH
分子名称: (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, ...
著者Barone, M, Roske, Y.
登録日2017-03-04
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
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BU of 5n9p by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-NH2
分子名称: Ac-[2-Cl-F]-PP-[ProM-1]-NH2, CHLORIDE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2017-02-26
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
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BU of 5n9c by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH
分子名称: Ac-[2-Cl-F]-PP-[ProM-1]-OH, GLYCEROL, NITRATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-02-24
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献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
5DMJ
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BU of 5dmj by Molmil
Structure of the extracellular domain of the CD40 in complex with 3H56-5 DAB
分子名称: 3H65-5 domain antibody (dAb), POTASSIUM ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2015-09-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
5DMI
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BU of 5dmi by Molmil
Structure of the extracellular domain of the CD40 in complex with CHI220 FAB
分子名称: Chi220 Fab heavy chain, Chi220 Fab light chain, SULFATE ION, ...
著者Sheriff, S.
登録日2015-09-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
6SYJ
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BU of 6syj by Molmil
Crystal structure of a ProM2 containing triple-helical collagen peptide.
分子名称: ProM2 containing collagen model peptide.
著者Gebauer, J.M, Maassen, A, Schmalz, H.-G, Baumann, U.
登録日2019-09-30
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Triple-Helix-Stabilizing Effects in Collagen Model Peptides Containing PPII-Helix-Preorganized Diproline Modules.
Angew.Chem.Int.Ed.Engl., 59, 2020
2KLR
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BU of 2klr by Molmil
Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers
分子名称: Alpha-crystallin B chain
著者Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H.
登録日2009-07-08
公開日2010-07-07
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.
Nat.Struct.Mol.Biol., 17, 2010
2GTO
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BU of 2gto by Molmil
Oxidized form of ADAP hSH3-N
分子名称: FYN-binding protein
著者Freund, C, Zimmermann, J, Kuehne, R.
登録日2006-04-28
公開日2007-06-05
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Redox-Regulated Conformational Changes in an SH3 Domain
Biochemistry, 46, 2007
2GTJ
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BU of 2gtj by Molmil
Reduced form of ADAP hSH3-N-domain
分子名称: FYN-binding protein
著者Zimmermann, J, Kuehne, R, Freund, C.
登録日2006-04-28
公開日2007-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Redox-Regulated Conformational Changes in an SH3 Domain
Biochemistry, 46, 2007
1QGP
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BU of 1qgp by Molmil
NMR STRUCTURE OF THE Z-ALPHA DOMAIN OF ADAR1, 15 STRUCTURES
分子名称: PROTEIN (DOUBLE STRANDED RNA ADENOSINE DEAMINASE)
著者Schade, M, Turner, C.J, Kuehne, R, Schmieder, P, Lowenhaupt, K, Herbert, A, Rich, A, Oschkinat, H.
登録日1999-05-03
公開日1999-10-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献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
1M7K
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BU of 1m7k by Molmil
Solution Structure of the SODD BAG Domain
分子名称: Silencer of Death Domains
著者Brockmann, C, Leitner, D, Labudde, D, Diehl, A, Sievert, V, Buessow, K, Oschkinat, H.
登録日2002-07-22
公開日2002-08-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
3J07
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BU of 3j07 by Molmil
Model of a 24mer alphaB-crystallin multimer
分子名称: Alpha-crystallin B chain
著者Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E.
登録日2011-04-27
公開日2016-01-20
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING
主引用文献N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity.
Proc.Natl.Acad.Sci.USA, 108, 2011
2N0K
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BU of 2n0k by Molmil
Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5
分子名称: Alpha-crystallin B chain
著者Rajagopal, P, Klevit, R.E, Shi, L, Baker, D.
登録日2015-03-09
公開日2015-06-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
2JNU
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BU of 2jnu by Molmil
Solution structure of the RGS domain of human RGS14
分子名称: Regulator of G-protein signaling 14
著者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)
登録日2007-02-02
公開日2007-02-27
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献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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