4ZT7
 
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
|
|
8GYF
 | | Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (K192Y) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, staygold(K192Y) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (K192Y) in jellyfish Cytaeis uchidae from Biortus
To Be Published
|
|
5AL8
 | | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: daidzein-7-O- glucuronide | | Descriptor: | DAIDZEIN-7-O-GLUCURONIDE, TRANSTHYRETIN | | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | | Deposit date: | 2015-03-06 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
|
|
8FJH
 | | Crystal structure of RalA in a covalent complex with SOF-531 | | Descriptor: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | | Deposit date: | 2022-12-19 | | Release date: | 2023-12-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
|
|
8F82
 | |
8HJF
 | | Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M5, state 2 | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Li, M, Zhang, S, Cui, S. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into the catalytic selectivity of glycosyltransferase SgUGT94-289-3 towards mogrosides.
Nat Commun, 15, 2024
|
|
6VUB
 | |
8F97
 | | Compound 5 bound to procaspase-6 | | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
8HJP
 | | Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with UDP state 1 | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, URIDINE-5'-DIPHOSPHATE, glycosyltranseferease | | Authors: | Li, M, Zhang, S, Cui, S. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the catalytic selectivity of glycosyltransferase SgUGT94-289-3 towards mogrosides.
Nat Commun, 15, 2024
|
|
8HJN
 | |
8F99
 | | Compound 10 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
5L9E
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | Deposit date: | 2016-06-10 | | Release date: | 2017-06-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
|
|
5A2R
 | | A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Harrison, C, Acharya, K.R. | | Deposit date: | 2015-05-22 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
FEBS Open Bio, 5, 2015
|
|
8HJO
 | | Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with UDP state 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Li, M, Zhang, S, Cui, S. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural insights into the catalytic selectivity of glycosyltransferase SgUGT94-289-3 towards mogrosides.
Nat Commun, 15, 2024
|
|
8F9A
 | | Compound 11 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
6VV9
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
|
|
8HJG
 | | Crystal structure of glycosyltransferase SgUGT94-289-3 in complex with M5, state 1 | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Li, M, Zhang, S, Cui, S. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-29 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the catalytic selectivity of glycosyltransferase SgUGT94-289-3 towards mogrosides.
Nat Commun, 15, 2024
|
|
4ZV3
 | |
8F9B
 | | Compound 19 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
6W7B
 | | K2P2.1 (TREK-1), 0 mM K+ | | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-19 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.88 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
|
|
8FCI
 | | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | | Deposit date: | 2022-12-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
|
|
5A3E
 | |
5LC9
 | |
8F9C
 | | Compound 20 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
|
|
6W84
 | | K2P2.1 (TREK-1), 200 mM K+ | | Descriptor: | CADMIUM ION, DODECANE, N-OCTANE, ... | | Authors: | Lolicato, M, Minor, D.L. | | Deposit date: | 2020-03-20 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
|
|
