7AAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aak by Molmil](/molmil-images/mine/7aak) | Human porphobilinogen deaminase R173W mutant crystallized in the ES2 intermediate state | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, GLYCEROL, Porphobilinogen deaminase | Authors: | Kallio, J.P, Bustad, H.J, Martinez, A. | Deposit date: | 2020-09-04 | Release date: | 2021-02-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of porphobilinogen deaminase mutants reveals that arginine-173 is crucial for polypyrrole elongation mechanism. Iscience, 24, 2021
|
|
7A7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a7u by Molmil](/molmil-images/mine/7a7u) | rsGreen1 in the green-on state | Descriptor: | Green fluorescent protein | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | Deposit date: | 2020-08-30 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6ZNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6znk by Molmil](/molmil-images/mine/6znk) | MaeB PTA domain N718D mutant | Descriptor: | Malate dehydrogenase, SULFATE ION | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.039 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
|
|
5LUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lud by Molmil](/molmil-images/mine/5lud) | Structure of Cyclophilin A in complex with 2,3-Diaminopyridine | Descriptor: | Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine | Authors: | McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D. | Deposit date: | 2016-09-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200. FEBS Open Bio, 7, 2017
|
|
7A87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a87 by Molmil](/molmil-images/mine/7a87) | |
7A82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a82 by Molmil](/molmil-images/mine/7a82) | |
7A8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a8b by Molmil](/molmil-images/mine/7a8b) | |
6RU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ru6 by Molmil](/molmil-images/mine/6ru6) | Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
|
|
7A8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a8h by Molmil](/molmil-images/mine/7a8h) | |
5LUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lun by Molmil](/molmil-images/mine/5lun) | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, FE (III) ION, ... | Authors: | McDonough, M.A, Zhang, Z, Schofield, C.J. | Deposit date: | 2016-09-09 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6ZN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zn9 by Molmil](/molmil-images/mine/6zn9) | MaeB PTA domain apoprotein | Descriptor: | Malate dehydrogenase | Authors: | Lovering, A.L, Harding, C.J. | Deposit date: | 2020-07-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
|
|
7AA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aa0 by Molmil](/molmil-images/mine/7aa0) | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | Descriptor: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid, Cellular retinoic acid-binding protein 2 | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6RFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rfi by Molmil](/molmil-images/mine/6rfi) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2019-04-15 | Release date: | 2019-10-30 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma. J.Med.Chem., 62, 2019
|
|
7A8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a8d by Molmil](/molmil-images/mine/7a8d) | |
5LWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lwe by Molmil](/molmil-images/mine/5lwe) | Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon | Descriptor: | C-C chemokine receptor type 9, CHOLESTEROL, MALONATE ION, ... | Authors: | Oswald, C, Rappas, M, Kean, J, Dore, A.S, Errey, J.C, Bennett, K, Deflorian, F, Christopher, J.A, Jazayeri, A, Mason, J.S, Congreve, M, Cooke, R.M, Marshall, F.H. | Deposit date: | 2016-09-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Intracellular allosteric antagonism of the CCR9 receptor. Nature, 540, 2016
|
|
5LI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5li9 by Molmil](/molmil-images/mine/5li9) | Structure of a nucleotide-bound form of PKCiota core kinase domain | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ivanova, M.E, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2016-07-14 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization. Dev.Cell, 38, 2016
|
|
7A7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a7r by Molmil](/molmil-images/mine/7a7r) | rsGreenF-K206A in the green-off state | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Green fluorescent protein | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | Deposit date: | 2020-08-30 | Release date: | 2021-02-17 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6RY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ry0 by Molmil](/molmil-images/mine/6ry0) | Crystal structure of Dfg5 from Chaetomium thermophilum | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Mannan endo-1,6-alpha-mannosidase, ... | Authors: | Essen, L.-O, Vogt, M.S. | Deposit date: | 2019-06-10 | Release date: | 2020-08-12 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5LX3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lx3 by Molmil](/molmil-images/mine/5lx3) | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. | Descriptor: | 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase | Authors: | Bertrand, T, Marquette, J.P. | Deposit date: | 2016-09-20 | Release date: | 2017-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. To Be Published
|
|
7A7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a7x by Molmil](/molmil-images/mine/7a7x) | |
7A8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a8a by Molmil](/molmil-images/mine/7a8a) | |
6ZXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zxr by Molmil](/molmil-images/mine/6zxr) | |
6RF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rf1 by Molmil](/molmil-images/mine/6rf1) | Crystal structure of the light-driven sodium pump KR2 in the pentameric "wet" form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
|
|
7A8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a8m by Molmil](/molmil-images/mine/7a8m) | |
6RF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rf9 by Molmil](/molmil-images/mine/6rf9) | Crystal structure of the Y154F mutant of the light-driven sodium pump KR2 in the monomeric form, pH 8.0 | Descriptor: | EICOSANE, GLYCEROL, RETINAL, ... | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | Deposit date: | 2019-04-12 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv, 5, 2019
|
|