1R86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r86 by Molmil](/molmil-images/mine/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
|
|
1R85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r85 by Molmil](/molmil-images/mine/1r85) | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6): The WT enzyme (monoclinic form) at 1.45A resolution | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Bar, M, Golan, G, Nechama, M, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2003-10-23 | Release date: | 2004-07-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry. Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
1R87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r87 by Molmil](/molmil-images/mine/1r87) | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic form): The complex of the WT enzyme with xylopentaose at 1.67A 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: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry. Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
4ILQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ilq by Molmil](/molmil-images/mine/4ilq) | 2.60A resolution structure of CT771 from Chlamydia trachomatis | Descriptor: | CT771, GLYCEROL, SULFATE ION | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2012-12-31 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase. Biochemistry, 53, 2014
|
|
4ILO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ilo by Molmil](/molmil-images/mine/4ilo) | 2.12A resolution structure of CT398 from Chlamydia trachomatis | Descriptor: | 1,2-ETHANEDIOL, CT398, ZINC ION | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2012-12-31 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | 2.12A resolution structure of CT398 from Chlamydia trachomatis To be Published
|
|
2HY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hy7 by Molmil](/molmil-images/mine/2hy7) | |
7PEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pel by Molmil](/molmil-images/mine/7pel) | CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ... | Authors: | Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-08-10 | Release date: | 2021-08-25 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma. Nat Commun, 11, 2020
|
|
6XVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xvt by Molmil](/molmil-images/mine/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
|
|
6XXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xxr by Molmil](/molmil-images/mine/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
|
|
6YD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
|
|
7A5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a5m by Molmil](/molmil-images/mine/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
|
|
7AKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aki by Molmil](/molmil-images/mine/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
|
|
7OUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oug by Molmil](/molmil-images/mine/7oug) | STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
|
|
7OUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ouh by Molmil](/molmil-images/mine/7ouh) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir | Descriptor: | Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
|
|
7OUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ouf by Molmil](/molmil-images/mine/7ouf) | Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450 | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ... | Authors: | Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures. Nat Commun, 12, 2021
|
|
4Y3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y3b by Molmil](/molmil-images/mine/4y3b) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4Y32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y32 by Molmil](/molmil-images/mine/4y32) | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | Authors: | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6RCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rcj by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rd2 by Molmil](/molmil-images/mine/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
|
|
6RCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rcf by Molmil](/molmil-images/mine/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
|
|
5HF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hf3 by Molmil](/molmil-images/mine/5hf3) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | 14-3-3 protein sigma, modified Tau peptide | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2016-01-06 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5I6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i6a by Molmil](/molmil-images/mine/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
|
|
5WKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wkq by Molmil](/molmil-images/mine/5wkq) | 2.10 A resolution structure of IpaB (residues 74-242) from Shigella flexneri | Descriptor: | Invasin IpaB | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.L, Picking, W.D. | Deposit date: | 2017-07-25 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Using disruptive insertional mutagenesis to identify the in situ structure-function landscape of the Shigella translocator protein IpaB. Protein Sci., 27, 2018
|
|
5N9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n9c by Molmil](/molmil-images/mine/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
|
|
5VXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vxj by Molmil](/molmil-images/mine/5vxj) | 2.50 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-E3 | Descriptor: | Invasin IpaD, single-domain antibody JMK-E3 | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Picking, W.D, Picking, W.L. | Deposit date: | 2017-05-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2.50 A resolution structure of IpaD from Shigella flexneri in complex with single-domain antibody JMK-E3 To Be Published
|
|