7NFB
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6LZY
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![BU of 6lzy by Molmil](/molmil-images/mine/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
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![BU of 7n86 by Molmil](/molmil-images/mine/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
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![BU of 8fhj by Molmil](/molmil-images/mine/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
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![BU of 8hwn by Molmil](/molmil-images/mine/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
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![BU of 7mz6 by Molmil](/molmil-images/mine/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
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![BU of 7mzb by Molmil](/molmil-images/mine/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
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![BU of 7noy by Molmil](/molmil-images/mine/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
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![BU of 8g2e by Molmil](/molmil-images/mine/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
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![BU of 7mza by Molmil](/molmil-images/mine/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
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![BU of 7mz9 by Molmil](/molmil-images/mine/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
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![BU of 7nmk by Molmil](/molmil-images/mine/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
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![BU of 7ndm by Molmil](/molmil-images/mine/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
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![BU of 7mze by Molmil](/molmil-images/mine/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
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![BU of 8fui by Molmil](/molmil-images/mine/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
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![BU of 8fuj by Molmil](/molmil-images/mine/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
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![BU of 1nai by Molmil](/molmil-images/mine/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
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![BU of 8ilu by Molmil](/molmil-images/mine/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
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![BU of 7nox by Molmil](/molmil-images/mine/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
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![BU of 8itz by Molmil](/molmil-images/mine/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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![BU of 8fs0 by Molmil](/molmil-images/mine/8fs0) | |