8DCN
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8DCM
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![BU of 8dcm by Molmil](/molmil-images/mine/8dcm) | |
6QIB
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![BU of 6qib by Molmil](/molmil-images/mine/6qib) | |
7U97
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![BU of 7u97 by Molmil](/molmil-images/mine/7u97) | SAAV pH 4.0 capsid structure | Descriptor: | Capsid protein | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2022-03-10 | Release date: | 2022-04-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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2W6O
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![BU of 2w6o by Molmil](/molmil-images/mine/2w6o) | Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment | Descriptor: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-12-18 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
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7U95
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![BU of 7u95 by Molmil](/molmil-images/mine/7u95) | SAAV pH 6.0 capsid structure | Descriptor: | Capsid protein | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2022-03-10 | Release date: | 2022-04-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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7U96
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![BU of 7u96 by Molmil](/molmil-images/mine/7u96) | SAAV pH 5.5 capsid structure | Descriptor: | Capsid protein | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2022-03-10 | Release date: | 2022-04-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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7U94
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![BU of 7u94 by Molmil](/molmil-images/mine/7u94) | SAAV pH 7.4 capsid structure | Descriptor: | Capsid protein | Authors: | Mietzsch, M, McKenna, R. | Deposit date: | 2022-03-10 | Release date: | 2022-04-13 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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2W6Z
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4GIH
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6WBS
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![BU of 6wbs by Molmil](/molmil-images/mine/6wbs) | Human CFTR first nucleotide binding domain with dF508/V510D | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | Deposit date: | 2020-03-27 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect To Be Published
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5N91
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![BU of 5n91 by Molmil](/molmil-images/mine/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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4GFM
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![BU of 4gfm by Molmil](/molmil-images/mine/4gfm) | JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | Descriptor: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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5NCG
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![BU of 5ncg by Molmil](/molmil-images/mine/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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5ND0
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![BU of 5nd0 by Molmil](/molmil-images/mine/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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5NC2
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![BU of 5nc2 by Molmil](/molmil-images/mine/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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5NDU
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![BU of 5ndu by Molmil](/molmil-images/mine/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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2W6P
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5NC7
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![BU of 5nc7 by Molmil](/molmil-images/mine/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
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![BU of 5neg by Molmil](/molmil-images/mine/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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1OGH
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![BU of 1ogh by Molmil](/molmil-images/mine/1ogh) | |
5NCP
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![BU of 5ncp by Molmil](/molmil-images/mine/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
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![BU of 5nbx by Molmil](/molmil-images/mine/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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2W6M
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![BU of 2w6m by Molmil](/molmil-images/mine/2w6m) | |
2W6N
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![BU of 2w6n by Molmil](/molmil-images/mine/2w6n) | |