6TWF
 
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-13 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6TW0
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6TVX
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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8ET6
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8ET9
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8ET8
 | | Cryo-EM structure of the organic cation transporter 1 in complex with verapamil | | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OCT1 | | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Nat.Struct.Mol.Biol., 30, 2023
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8ET7
 | | Cryo-EM structure of the organic cation transporter 1 in complex with diphenhydramine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE, OCT1 | | Authors: | Suo, Y, Wright, N.J, Lee, S.-Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2.
Nat.Struct.Mol.Biol., 30, 2023
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7STL
 | | Chitin Synthase 2 from Candida albicans at the apo state | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase | | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | Deposit date: | 2021-11-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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7STN
 | | Chitin Synthase 2 from Candida albicans bound to Nikkomycin Z | | Descriptor: | (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name), 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase | | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | Deposit date: | 2021-11-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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7STO
 | | Chitin Synthase 2 from Candida albicans bound to polyoxin D | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name), Chitin synthase | | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | Deposit date: | 2021-11-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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7STM
 | | Chitin Synthase 2 from Candida albicans bound to UDP-GlcNAc | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase, MAGNESIUM ION, ... | | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | | Deposit date: | 2021-11-14 | | Release date: | 2022-07-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans.
Nat.Struct.Mol.Biol., 29, 2022
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7TX6
 | | Cryo-EM structure of the human reduced folate carrier in complex with methotrexate | | Descriptor: | Digitonin, METHOTREXATE, Reduced folate transporter,Soluble cytochrome b562 | | Authors: | Wright, N.J, Fedor, J.G, Lee, S.-Y. | | Deposit date: | 2022-02-07 | | Release date: | 2022-09-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Methotrexate recognition by the human reduced folate carrier SLC19A1.
Nature, 609, 2022
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7TX7
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8FCA
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate | | Descriptor: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FC7
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745 | | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FC8
 | | Cryo-EM structure of the human TRPV4 in complex with GSK1016790A | | Descriptor: | CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8FC9
 | | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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8Z9B
 | | Low molecular weight antigen MTB12 | | Descriptor: | Low molecular weight antigen MTB12 | | Authors: | Park, H.H, Han, J.H. | | Deposit date: | 2024-04-23 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Novel structure of secreted small molecular weight antigen Mtb12 from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 717, 2024
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8ZEY
 | | Anti-CRISPR type I subtype E3;AcrIE3 | | Descriptor: | AcrIE3 | | Authors: | Kim, D.Y, Park, H.H. | | Deposit date: | 2024-05-07 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.734 Å) | | Cite: | Novel structure of the anti-CRISPR protein AcrIE3 and its implication on the CRISPR-Cas inhibition.
Biochem.Biophys.Res.Commun., 722, 2024
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5L27
 | | Structure of CNTnw N149L in the intermediate 1 state | | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2016-07-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter.
Nature, 545, 2017
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5L2B
 | | Structure of CNTnw N149S, E332A in an outward-facing state | | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2016-07-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter.
Nature, 545, 2017
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8TZL
 | | Cryo-EM structure of Vibrio cholerae FtsE/FtsX/EnvC complex, full-length | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2023-08-27 | | Release date: | 2023-12-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structural insights into the FtsEX-EnvC complex regulation on septal peptidoglycan hydrolysis in Vibrio cholerae.
Structure, 32, 2024
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8TZJ
 | | Cryo-EM structure of Vibrio cholerae FtsE/FtsX complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2023-08-27 | | Release date: | 2023-12-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Structural insights into the FtsEX-EnvC complex regulation on septal peptidoglycan hydrolysis in Vibrio cholerae.
Structure, 32, 2024
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8TZK
 | | Cryo-EM structure of Vibrio cholerae FtsE/FtsX/EnvC complex, shortened | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX, ... | | Authors: | Hao, A, Lee, S.-Y. | | Deposit date: | 2023-08-27 | | Release date: | 2023-12-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structural insights into the FtsEX-EnvC complex regulation on septal peptidoglycan hydrolysis in Vibrio cholerae.
Structure, 32, 2024
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5L2A
 | | Structure of CNTnw N149S,F366A in an outward-facing state | | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | | Deposit date: | 2016-07-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter.
Nature, 545, 2017
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