8XGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xgk by Molmil](/molmil-images/mine/8xgk) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
|
|
9BKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkk by Molmil](/molmil-images/mine/9bkk) | Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | Deposit date: | 2024-04-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling To Be Published
|
|
5IWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iwo by Molmil](/molmil-images/mine/5iwo) | Bacterial sodium channel pore domain, low bromide | Descriptor: | BROMIDE ION, Ion transport protein | Authors: | Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L. | Deposit date: | 2016-03-22 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation. Cell, 164, 2016
|
|
1DCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dcm by Molmil](/molmil-images/mine/1dcm) | STRUCTURE OF UNPHOSPHORYLATED FIXJ-N WITH AN ATYPICAL CONFORMER (MONOMER A) | Descriptor: | MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ | Authors: | Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P. | Deposit date: | 1999-11-05 | Release date: | 2000-11-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural transitions in the FixJ receiver domain. Structure Fold.Des., 7, 1999
|
|
5IU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iu0 by Molmil](/molmil-images/mine/5iu0) | Rubisco from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Valegaard, K, Hasse, D, Gunn, L, Andersson, I. | Deposit date: | 2016-03-17 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structure of Rubisco from Arabidopsis thaliana in complex with 2-carboxyarabinitol-1,5-bisphosphate. Acta Crystallogr D Struct Biol, 74, 2018
|
|
5IYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iyt by Molmil](/molmil-images/mine/5iyt) | Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide | Descriptor: | EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide | Authors: | Kaczmarska, Z, Becker, D, Rademann, J, Coll, M. | Deposit date: | 2016-03-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments. Nat Commun, 7, 2016
|
|
6XQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xqc by Molmil](/molmil-images/mine/6xqc) | |
5J0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j0i by Molmil](/molmil-images/mine/5j0i) | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | Designed protein 2L6HC3_12 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
|
|
5JL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jl6 by Molmil](/molmil-images/mine/5jl6) | |
8ZWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8zwl by Molmil](/molmil-images/mine/8zwl) | |
5JLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jli by Molmil](/molmil-images/mine/5jli) | Nitric oxide complex of the L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans | Descriptor: | ASCORBIC ACID, Cytochrome c', HEME C, ... | Authors: | Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2016-04-27 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design. Chem Sci, 8, 2017
|
|
5JL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jl9 by Molmil](/molmil-images/mine/5jl9) | |
1R4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r4g by Molmil](/molmil-images/mine/1r4g) | Solution structure of the Sendai virus protein X C-subdomain | Descriptor: | RNA polymerase alpha subunit | Authors: | Blanchard, L, Tarbouriech, N, Blackledge, M, Timmins, P, Burmeister, W.P, Ruigrok, R.W, Marion, D. | Deposit date: | 2003-10-06 | Release date: | 2004-03-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of the nucleocapsid-binding domain of the Sendai virus phosphoprotein in solution Virology, 319, 2004
|
|
5JI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ji4 by Molmil](/molmil-images/mine/5ji4) | Solution structure of the de novo mini protein gEEHE_02 | Descriptor: | W37 | Authors: | Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T. | Deposit date: | 2016-04-21 | Release date: | 2016-09-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
|
|
2HFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hfd by Molmil](/molmil-images/mine/2hfd) | NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415 | Descriptor: | Hydrogenase-1 operon protein hyaE | Authors: | Singarapu, K.K, Liu, G, Eletsky, A, Parish, D, Atreya, H.S, Xu, D, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-23 | Release date: | 2006-08-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif. J.STRUCT.FUNCT.GENOM., 9, 2008
|
|
6Y5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5v by Molmil](/molmil-images/mine/6y5v) | Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L. | Deposit date: | 2020-02-25 | Release date: | 2020-07-15 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (4.08 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
|
|
5JHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jhi by Molmil](/molmil-images/mine/5jhi) | Solution structure of the de novo mini protein gEHE_06 | Descriptor: | W35 | Authors: | Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T. | Deposit date: | 2016-04-21 | Release date: | 2016-09-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
|
|
5JS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5js7 by Molmil](/molmil-images/mine/5js7) | Structural model of a apo G-protein alpha subunit determined with NMR residual dipolar couplings and SAXS | Descriptor: | Guanine nucleotide-binding protein G(i) subunit alpha-1 | Authors: | Goricanec, D, Stehle, R, Grigoriu, S, Wagner, G, Hagn, F. | Deposit date: | 2016-05-07 | Release date: | 2016-06-29 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5JS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5js8 by Molmil](/molmil-images/mine/5js8) | Structural Model of a Protein alpha subunit in complex with GDP obtained with SAXS and NMR residual couplings | Descriptor: | Guanine nucleotide-binding protein G(i) subunit alpha-1 | Authors: | Goricanec, D, Stehle, R, Grigoriu, S, Wagner, G, Hagn, F. | Deposit date: | 2016-05-07 | Release date: | 2016-06-29 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational dynamics of a G-protein alpha subunit is tightly regulated by nucleotide binding. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6YAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yaa by Molmil](/molmil-images/mine/6yaa) | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | Descriptor: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | Authors: | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | Deposit date: | 2020-03-11 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia. Cell Chem Biol, 27, 2020
|
|
8TVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tvb by Molmil](/molmil-images/mine/8tvb) | |
6YU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yu6 by Molmil](/molmil-images/mine/6yu6) | Crystal structure of MhsT in complex with L-leucine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUCINE, SODIUM ION, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
|
|
8U30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u30 by Molmil](/molmil-images/mine/8u30) | TRPV1 in nanodisc bound with diC8-PIP2 in the closed state | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
|
|
8U3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u3l by Molmil](/molmil-images/mine/8u3l) | |
6YYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yyi by Molmil](/molmil-images/mine/6yyi) | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | Deposit date: | 2020-05-05 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis. Biochimie, 181, 2020
|
|