5WZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzu by Molmil](/molmil-images/mine/5wzu) | Crystal structure of human secreted phospholipase A2 group IIE with Compound 24 | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5WZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzo by Molmil](/molmil-images/mine/5wzo) | Crystal structure of human secreted phospholipase A2 group IIE, crystallized with calcium | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5WZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzw by Molmil](/molmil-images/mine/5wzw) | Crystal structure of human secreted phospholipase A2 group IIE with LY311727 | Descriptor: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5WZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzs by Molmil](/molmil-images/mine/5wzs) | Crystal structure of human secreted phospholipase A2 group IIE with Compound 8 | Descriptor: | 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5WZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzv by Molmil](/molmil-images/mine/5wzv) | Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5WZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzm by Molmil](/molmil-images/mine/5wzm) | Crystal structure of human secreted phospholipase A2 group IIE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
5Y5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5e by Molmil](/molmil-images/mine/5y5e) | Crystal structure of phospholipase A2 with inhibitor | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-08-08 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2group IIE Sci Rep, 7, 2017
|
|
5H6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h6g by Molmil](/molmil-images/mine/5h6g) | Crystal structure of a thermostable lipase from Marine Streptomyces | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Hou, S, Zhao, Z, Liu, J. | Deposit date: | 2016-11-11 | Release date: | 2017-09-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for thermostability and regiospecificity FEBS J., 284, 2017
|
|
5H6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h6b by Molmil](/molmil-images/mine/5h6b) | Crystal structure of a thermostable lipase from Marine Streptomyces | Descriptor: | ACETATE ION, IMIDAZOLE, Putative secreted lipase, ... | Authors: | Hou, S, Zhao, Z, Liu, J. | Deposit date: | 2016-11-11 | Release date: | 2017-09-20 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for thermostability and regiospecificity FEBS J., 284, 2017
|
|
5WZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wzt by Molmil](/molmil-images/mine/5wzt) | Crystal structure of human secreted phospholipase A2 group IIE with Compound 14 | Descriptor: | 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
|
|
6KQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kqu by Molmil](/molmil-images/mine/6kqu) | Crystal structure of phospholipase A2 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, T, Liu, J. | Deposit date: | 2019-08-18 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE. Biochimie, 176, 2020
|
|
3CS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cs6 by Molmil](/molmil-images/mine/3cs6) | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor. Chem.Biol., 15, 2008
|
|
5NF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nf8 by Molmil](/molmil-images/mine/5nf8) | Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation | Descriptor: | Respiratory supercomplex factor 1, mitochondrial | Authors: | Zhou, S, Pettersson, P, Sjoholm, J, Sjostrand, D, Hogbom, M, Brzezinski, P, Maler, L, Adelroth, P. | Deposit date: | 2017-03-13 | Release date: | 2018-02-28 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djm by Molmil](/molmil-images/mine/6djm) | Cryo-EM structure of AMPPNP-actin filaments | Descriptor: | Actin, alpha skeletal muscle, MAGNESIUM ION, ... | Authors: | Chou, S.Z, Pollard, T.D. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6DJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djn by Molmil](/molmil-images/mine/6djn) | Cryo-EM structure of ADP-Pi-actin filaments | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Chou, S.Z, Pollard, T.D. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6DJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djo by Molmil](/molmil-images/mine/6djo) | Cryo-EM structure of ADP-actin filaments | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Chou, S.Z, Pollard, T.D. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of actin polymerization revealed by cryo-EM structures of actin filaments with three different bound nucleotides. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6WIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6win by Molmil](/molmil-images/mine/6win) | Type 6 secretion amidase effector 2 (Tae2) | Descriptor: | Type 6 secretion amidase effector 2 | Authors: | Chou, S, Radkov, A.D. | Deposit date: | 2020-04-10 | Release date: | 2020-04-22 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ticks Resist Skin Commensals with Immune Factor of Bacterial Origin. Cell, 183, 2020
|
|
7K21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k21 by Molmil](/molmil-images/mine/7k21) | |
7E1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
7E1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
7E1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
|
|
7K20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k20 by Molmil](/molmil-images/mine/7k20) | |
2WYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wyg by Molmil](/molmil-images/mine/2wyg) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
|
|
2WYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wyj by Molmil](/molmil-images/mine/2wyj) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
|
|
8SHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8shm by Molmil](/molmil-images/mine/8shm) | |