8P8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8k by Molmil](/molmil-images/mine/8p8k) | Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, Acyl-ACP thioesterase | Authors: | Freigang, J. | Deposit date: | 2023-06-01 | Release date: | 2023-09-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase. J.Agric.Food Chem., 71, 2023
|
|
7WWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wwf by Molmil](/molmil-images/mine/7wwf) | Crystal structure of BioH3 from Mycolicibacterium smegmatis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | Deposit date: | 2022-02-12 | Release date: | 2022-07-06 | Last modified: | 2023-01-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target. Plos Pathog., 18, 2022
|
|
5Z6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z6y by Molmil](/molmil-images/mine/5z6y) | Structure of sfYFP48S95C66BPA | Descriptor: | Green fluorescent protein | Authors: | Wang, J.Y, Wang, J.Y. | Deposit date: | 2018-01-25 | Release date: | 2019-06-12 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | structure of sfYFP48S95C66BPA at 1.95 Angstroms resolution To Be Published
|
|
7X45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x45 by Molmil](/molmil-images/mine/7x45) | Grass carp interferon gamma related | Descriptor: | Interferon gamma | Authors: | Wang, J, Zou, J, Zhu, X. | Deposit date: | 2022-03-02 | Release date: | 2022-09-14 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Novel Dimeric Architecture of an IFN-gamma-Related Cytokine Provides Insights into Subfunctionalization of Type II IFNs in Teleost Fish. J Immunol., 209, 2022
|
|
7XPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xpl by Molmil](/molmil-images/mine/7xpl) | |
8JJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jjb by Molmil](/molmil-images/mine/8jjb) | Crystal structure of T2R-TTL-Y61 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
|
|
8JJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jjc by Molmil](/molmil-images/mine/8jjc) | Tubulin-Y62 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
|
|
7CPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cpx by Molmil](/molmil-images/mine/7cpx) | Lovastatin nonaketide synthase | Descriptor: | Lovastatin nonaketide synthase, polyketide synthase component, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, J, Wang, Z. | Deposit date: | 2020-08-08 | Release date: | 2021-01-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural basis for the biosynthesis of lovastatin. Nat Commun, 12, 2021
|
|
8JB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jb4 by Molmil](/molmil-images/mine/8jb4) | lipopolysaccharide-binding domain-LBDB | Descriptor: | Antilipopolysaccharide factor D | Authors: | Huang, J, Qin, Z. | Deposit date: | 2023-05-08 | Release date: | 2024-03-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Machine learning and genetic algorithm-guided directed evolution for the development of small-molecule antibiotics originating from antimicrobial peptides To Be Published
|
|
4GPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gps by Molmil](/molmil-images/mine/4gps) | |
4GPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpu by Molmil](/molmil-images/mine/4gpu) | |
3CFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cfr by Molmil](/molmil-images/mine/3cfr) | Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 2 | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), ... | Authors: | Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H. | Deposit date: | 2008-03-04 | Release date: | 2009-03-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into base selectivity from the structures
of an RB69 DNA Polymerase triple mutant To be Published
|
|
2NWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nwm by Molmil](/molmil-images/mine/2nwm) | |
3Q53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q53 by Molmil](/molmil-images/mine/3q53) | |
3NTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ntg by Molmil](/molmil-images/mine/3ntg) | Crystal structure of COX-2 with selective compound 23d-(R) | Descriptor: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | Deposit date: | 2010-07-04 | Release date: | 2010-10-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
|
|
5YYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yys by Molmil](/molmil-images/mine/5yys) | Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis | Descriptor: | L-fucokinase, L-fucose-1-P guanylyltransferase | Authors: | Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L. | Deposit date: | 2017-12-11 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis. Protein Cell, 10, 2019
|
|
7W1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w1s by Molmil](/molmil-images/mine/7w1s) | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007 | Descriptor: | Nanobody Nb-007, Spike protein S1 | Authors: | Yang, J, Lin, S, Sun, H.L, Lu, G.W. | Deposit date: | 2021-11-20 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding. Front Immunol, 13, 2022
|
|
7WSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wsb by Molmil](/molmil-images/mine/7wsb) | The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B | Descriptor: | 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | Authors: | Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. | Deposit date: | 2022-01-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues. Jacs Au, 2, 2022
|
|
7KGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kgj by Molmil](/molmil-images/mine/7kgj) | Crystal structure of synthetic nanobody (Sb45) complexes with SARS-CoV-2 receptor binding domain | Descriptor: | Sb45, Sybody-45, Synthetic Nanobody, ... | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2020-10-16 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
|
|
6CWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cwe by Molmil](/molmil-images/mine/6cwe) | Structure of alpha-GSA[8,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-03-30 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Glycolipid recognition by iNKT cells To Be Published
|
|
7KLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7klw by Molmil](/molmil-images/mine/7klw) | Crystal structure of synthetic nanobody (Sb45+Sb68) complexes with SARS-CoV-2 receptor binding domain | Descriptor: | SB45, Synthetic Nanobody, SB68, ... | Authors: | Jiang, J, Ahmad, J, Natarajan, K, Boyd, L.F, Margulies, D.H. | Deposit date: | 2020-11-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction. J.Biol.Chem., 297, 2021
|
|
7DGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dgd by Molmil](/molmil-images/mine/7dgd) | apo state of class C GPCR | Descriptor: | Metabotropic glutamate receptor 1 | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
|
|
7DGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dge by Molmil](/molmil-images/mine/7dge) | intermediate state of class C GPCR | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 1, nanobody | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
|
|
5GTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gtn by Molmil](/molmil-images/mine/5gtn) | Human PPARgamma ligand binding dmain complexed with R35 | Descriptor: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y, Suh, S.W. | Deposit date: | 2016-08-22 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for differential activities of enantiomeric PPAR gamma agonists: Binding of S35 to the alternate site. Biochim. Biophys. Acta, 1865, 2017
|
|
3EY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ey4 by Molmil](/molmil-images/mine/3ey4) | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model | Descriptor: | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J.D, Jordan, S.R, Li, V. | Deposit date: | 2008-10-17 | Release date: | 2008-11-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model To be Published, 2008
|
|