7NFB
 
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6LZY
 | | Structure of Phytolacca americana UGT3 with 18-crown-6 | | Descriptor: | 1,2-ETHANEDIOL, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, BROMIDE ION, ... | | Authors: | Maharjan, R, Fukuda, Y, Nakayama, T, Nakayama, T, Hamada, H, Ozaki, S, Inoue, T. | | Deposit date: | 2020-02-19 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crown-ether-mediated crystal structures of the glycosyltransferase PaGT3 from Phytolacca americana.
Acta Crystallogr D Struct Biol, 76, 2020
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7N86
 | | Crystal Structure of Human Protocadherin-24 EC1-2 Form II | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Modak, D, Gray, M.E, Sotomayor, M. | | Deposit date: | 2021-06-13 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.175 Å) | | Cite: | Heterophilic and homophilic cadherin interactions in intestinal intermicrovillar links are species dependent.
Plos Biol., 19, 2021
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8FHJ
 | | Crystal structure of a FAD monooxygenease from Methylocystis sp. Strain SB2 | | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Stewart, A.M, Sawaya, M.R, Stewart, C.E. | | Deposit date: | 2022-12-14 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2.
Acta Crystallogr.,Sect.F, 79, 2023
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8HWN
 | | aldo-keto reductase DepB | | Descriptor: | CHLORIDE ION, DepB, SODIUM ION | | Authors: | Chen, M, Yang, H, Lu, F. | | Deposit date: | 2022-12-31 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of DepB capable of DON detoxification
To Be Published
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7MZ5
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7MZ6
 | | Cryo-EM structure of minimal TRPV1 with 1 perturbed PI | | Descriptor: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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7MZB
 | | Cryo-EM structure of minimal TRPV1 with 3 bound RTX and 1 perturbed PI | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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7MZC
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7NOY
 | | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one | | Descriptor: | 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | | Deposit date: | 2021-02-26 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
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8G2E
 | | PKM2 bound to compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one, MAGNESIUM ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2023-02-03 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.838 Å) | | Cite: | Development of Novel Small-Molecule Activators of Pyruvate Kinase Muscle Isozyme 2, PKM2, to Reduce Photoreceptor Apoptosis.
Pharmaceuticals, 16, 2023
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7MZA
 | | Cryo-EM structure of minimal TRPV1 with 2 bound RTX in adjacent pockets | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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7MZ9
 | | Cryo-EM structure of minimal TRPV1 with 1 partially bound RTX | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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7NMK
 | | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one | | Descriptor: | 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ... | | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | | Deposit date: | 2021-02-23 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.204 Å) | | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
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7MZ7
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7NDM
 | | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one | | Descriptor: | 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ... | | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | | Deposit date: | 2021-02-02 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
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7MZD
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7MZE
 | | Cryo-EM structure of minimal TRPV1 with 2 bound RTX in opposite pockets | | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | | Authors: | Zhang, K, Julius, D, Cheng, Y. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-22 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
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8FUI
 | | HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group | | Descriptor: | ACETATE ION, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Wong-Sam, A.E, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2023-01-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
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8FUJ
 | | HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2023-01-17 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
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1NAI
 | | UDP-GALACTOSE 4-EPIMERASE FROM ESCHERICHIA COLI, OXIDIZED | | Descriptor: | 1,3-PROPANDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Thoden, J.B, Frey, P.A, Holden, H.M. | | Deposit date: | 1995-11-22 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the oxidized and reduced forms of UDP-galactose 4-epimerase isolated from Escherichia coli.
Biochemistry, 35, 1996
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8ILU
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | Descriptor: | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ... | | Authors: | Kumar, A, Jinal, S, Raman, S, Ghosh, K. | | Deposit date: | 2023-03-04 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of Benzothiazole Derived Monosaccharides as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3
To Be Published
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7NOX
 | | Structure of SGBP BO2743 from Bacteroides ovatus in complex with mixed-linked gluco-nonasaccharide | | Descriptor: | AZIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
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8ITZ
 | | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | | Authors: | Jinal, S, Amit, K, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
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8FS0
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