1EM6
 
 | | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL, LIVER GLYCOGEN PHOSPHORYLASE, ... | | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | | Deposit date: | 2000-03-16 | | Release date: | 2000-11-01 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site.
Chem.Biol., 7, 2000
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6Z9F
 | | 1.56 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope | | Descriptor: | Ferritin heavy chain, SODIUM ION | | Authors: | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-24 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (1.56 Å) | | Cite: | Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
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5KWI
 | | M.tb Ag85C modified at C209 by adamantyl-ebselen | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide | | Authors: | Goins, C.M, Ronning, D.R. | | Deposit date: | 2016-07-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
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4TT1
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4TQ8
 | | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | | Deposit date: | 2014-06-10 | | Release date: | 2015-06-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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8GWA
 | | Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | | Authors: | Chen, J.H, Zhang, X. | | Deposit date: | 2022-09-16 | | Release date: | 2022-11-23 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium.
J Integr Plant Biol, 65, 2023
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-11-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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6UCZ
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5HGW
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8XOC
 | | beta-1,4-galacosyltransferase | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, Glycosyltransferase family 25 protein, MAGNESIUM ION | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-31 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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7SII
 | | Human STING bound to both cGAMP and 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide (Compound 53) | | Descriptor: | 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, Stimulator of interferon genes protein, cGAMP | | Authors: | Lu, D, Shang, G, Jie, L, Lu, Y, Bai, X.C, Zhang, X. | | Deposit date: | 2021-10-14 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Activation of STING by targeting a pocket in the transmembrane domain.
Nature, 604, 2022
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8DUR
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6F18
 | | Structure of Mb NMH H64V, V68A mutant complex with EDA | | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | | Deposit date: | 2017-11-21 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
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6UFV
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5JDA
 | | Bacillus cereus CotH kinase plus Mg2+/AMP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | | Deposit date: | 2016-04-15 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Phosphorylation of spore coat proteins by a family of atypical protein kinases.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8XC8
 | | beta-1,4-galacosyltransferase | | Descriptor: | Glycosyltransferase family 25 protein | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-08 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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8XGX
 | | beta-1,4-galacosyltransferase | | Descriptor: | Glycosyltransferase family 25 protein | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-15 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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8XKD
 | | beta-1,4-galacosyltransferase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycosyltransferase family 25 protein, TRIETHYLENE GLYCOL, ... | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-23 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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8XLZ
 | | beta-1,4-galacosyltransferase | | Descriptor: | Glycosyltransferase family 25 protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-26 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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6ZB0
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1ERF
 | | CONFORMATIONAL MAPPING OF THE N-TERMINAL FUSION PEPTIDE OF HIV-1 GP41 USING 13C-ENHANCED FOURIER TRANSFORM INFRARED SPECTROSCOPY (FTIR) | | Descriptor: | TRANSMEMBRANE GLYCOPROTEIN | | Authors: | Gordon, L.M, Mobley, P.W, Pilpa, R, Sherman, M.A, Waring, A.J. | | Deposit date: | 2000-04-06 | | Release date: | 2000-05-03 | | Last modified: | 2024-11-06 | | Method: | INFRARED SPECTROSCOPY | | Cite: | Conformational mapping of the N-terminal peptide of HIV-1 gp41 in membrane environments using (13)C-enhanced Fourier transform infrared spectroscopy.
Biochim.Biophys.Acta, 1559, 2002
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9C1W
 | | Structure of AKT2 with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | | Authors: | Craven, G.B, Ma, X, Taunton, J. | | Deposit date: | 2024-05-29 | | Release date: | 2024-09-04 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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4X10
 | | JC Polyomavirus genotype 3 VP1 in complex with GM2 oligosaccharide | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | | Authors: | Stroh, L.J, Stehle, T. | | Deposit date: | 2014-11-24 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
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8GZ1
 | | Cryo-EM structure of human NaV1.6/beta1/beta2,apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ... | | Authors: | Li, Y, Jiang, D. | | Deposit date: | 2022-09-24 | | Release date: | 2023-03-08 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
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5J56
 | | RTA-V1C7 | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Rudolph, M.J. | | Deposit date: | 2016-04-01 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of Single Domain Antibodies Bound to a Second Neutralizing Hot Spot on Ricin Toxin's Enzymatic Subunit.
J. Biol. Chem., 292, 2017
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