6YM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ym1 by Molmil](/molmil-images/mine/6ym1) | Mycobacterium tuberculosis FtsZ in complex with GDP | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
|
|
8DH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dh7 by Molmil](/molmil-images/mine/8dh7) | |
5JX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jx9 by Molmil](/molmil-images/mine/5jx9) | Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 5 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | Deposit date: | 2016-05-12 | Release date: | 2017-06-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
|
|
6RB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rb7 by Molmil](/molmil-images/mine/6rb7) | Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Owen, C.D, Bell, A, Juge, N, Walsh, M.A. | Deposit date: | 2019-04-09 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut. Nat Microbiol, 4, 2019
|
|
5JXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jxz by Molmil](/molmil-images/mine/5jxz) | A low magnesium structure of the isochorismate synthase, EntC | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, ... | Authors: | Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L. | Deposit date: | 2016-05-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An Open and Shut Case: The Interaction of Magnesium with MST Enzymes. J.Am.Chem.Soc., 138, 2016
|
|
8TC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tc0 by Molmil](/molmil-images/mine/8tc0) | Cryo-EM Structure of Spike Glycoprotein from Bat Coronavirus WIV1 in Closed Conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bostina, M, Hills, F.R, Eruera, A. | Deposit date: | 2023-06-29 | Release date: | 2024-05-01 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (1.88 Å) | Cite: | Variation in structural motifs within SARS-related coronavirus spike proteins. Plos Pathog., 20, 2024
|
|
6YM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ym9 by Molmil](/molmil-images/mine/6ym9) | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
|
|
6GF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gf3 by Molmil](/molmil-images/mine/6gf3) | Tubulin-Jerantinine B acetate complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2018-04-29 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site. Sci Rep, 8, 2018
|
|
6GGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ggd by Molmil](/molmil-images/mine/6ggd) | |
5NAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5naw by Molmil](/molmil-images/mine/5naw) | Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide] | Descriptor: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N. | Deposit date: | 2017-02-28 | Release date: | 2017-06-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
|
|
6GL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gl9 by Molmil](/molmil-images/mine/6gl9) | Crystal structure of JAK3 in complex with Compound 10 (FM475) | Descriptor: | (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile, 1,2-ETHANEDIOL, 1-phenylurea, ... | Authors: | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-23 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
|
|
6ND7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nd7 by Molmil](/molmil-images/mine/6nd7) | The crystal structure of TerB co-crystallized with polyporic acid | Descriptor: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
|
|
5K3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k3j by Molmil](/molmil-images/mine/5k3j) | Crystals structure of Acyl-CoA oxidase-2 in Caenorhabditis elegans bound with FAD, ascaroside-CoA, and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | Deposit date: | 2016-05-19 | Release date: | 2016-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
7ZUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zuc by Molmil](/molmil-images/mine/7zuc) | Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-LEU-LEU-GLY-ILE-GLY-ILE-LEU-VAL, ... | Authors: | Rizkallah, P.J, Wall, A, Sewell, A.K, Fuller, A. | Deposit date: | 2022-05-12 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy. Cell, 186, 2023
|
|
6VJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vj0 by Molmil](/molmil-images/mine/6vj0) | Crystal structure of a chitin-binding protein from Moringa oleifera seeds (Mo-CBP4) | Descriptor: | ACETATE ION, CHLORIDE ION, Chitin-binding protein Mo-CBP4 | Authors: | Bezerra, E.H.S, Lopes, T.D.P, da Silva, F.M.S, Costa, H.P.S, Freire, V.N, Rocha, B.A.M, Sousa, D.O.B. | Deposit date: | 2020-01-14 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of a lectin from Moringa oleifera seeds with imflammatory activities To Be Published
|
|
7THW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7thw by Molmil](/molmil-images/mine/7thw) | Crystal Structure of the Soluble Domain of the Putative OmpA -Family Membrane Protein YPO0514 from Yersinia pestis | Descriptor: | CALCIUM ION, PHOSPHATE ION, Putative OmpA-family membrane protein | Authors: | Kim, Y, Tesar, C, Chhor, G, Clancy, S, Babnigg, G, Schneewind, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-01-12 | Release date: | 2022-01-26 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Soluble Domain of the Putative OmpA -Family Membrane Protein YPO0514 from Yersinia pestis To Be Published
|
|
6NDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ndq by Molmil](/molmil-images/mine/6ndq) | |
8TB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tb2 by Molmil](/molmil-images/mine/8tb2) | |
6R88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r88 by Molmil](/molmil-images/mine/6r88) | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | Deposit date: | 2019-04-01 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5NGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ngs by Molmil](/molmil-images/mine/5ngs) | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | Deposit date: | 2017-03-20 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
|
|
6GOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6goe by Molmil](/molmil-images/mine/6goe) | KRAS full length G12V GPPNHP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
8TH3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8th3 by Molmil](/molmil-images/mine/8th3) | |
6VZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vzd by Molmil](/molmil-images/mine/6vzd) | N-terminal domain of mouse surfactant protein B (K46E/R51E mutant) with bound lipid | Descriptor: | (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate, Pulmonary surfactant-associated protein B | Authors: | Rapoport, T.A, Bodnar, N.O. | Deposit date: | 2020-02-28 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mechanism of Lamellar Body Formation by Lung Surfactant Protein B. Mol.Cell, 81, 2021
|
|
6R9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9i by Molmil](/molmil-images/mine/6r9i) | |
5NHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nhf by Molmil](/molmil-images/mine/5nhf) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|