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7CBG
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BU of 7cbg by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide, Threonine--tRNA ligase, ZINC ION
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7CBI
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BU of 7cbi by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ...
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7CBH
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BU of 7cbh by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: Threonine--tRNA ligase, ZINC ION, [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
8H5E
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BU of 8h5e by Molmil
Crystal structure of the MgtE TM domain in complex with Ca2+ ions at 2.5 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, Magnesium transporter MgtE
Authors:Teng, X, Sheng, D, Hattori, M.
Deposit date:2022-10-13
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ion selectivity mechanism of the MgtE channel for Mg 2+ over Ca 2 .
Iscience, 25, 2022
8GUS
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BU of 8gus by Molmil
Cryo-EM structure of HU-CB2-G protein complex
Descriptor: Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
Deposit date:2022-09-13
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUQ
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BU of 8guq by Molmil
Cryo-EM structure of CB2-G protein complex
Descriptor: Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
Deposit date:2022-09-13
Release date:2023-05-10
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUR
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BU of 8gur by Molmil
Cryo-EM structure of CP-CB2-G protein complex
Descriptor: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H.
Deposit date:2022-09-13
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
8GUT
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BU of 8gut by Molmil
Cryo-EM structure of LEI-CB2-Gi complex
Descriptor: 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Li, X.T, Chang, H, Wu, L.J.
Deposit date:2022-09-13
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of selective cannabinoid CB 2 receptor activation.
Nat Commun, 14, 2023
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
Descriptor: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
Authors:Li, W, Feng, W.
Deposit date:2019-07-31
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
8I1Y
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BU of 8i1y by Molmil
The structure of E. coli TrpRS bound with a chemical fragment
Descriptor: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-13
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2J
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BU of 8i2j by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1-(4-methoxyphenyl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I1Z
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BU of 8i1z by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment
Descriptor: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-13
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2C
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BU of 8i2c by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2A
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BU of 8i2a by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I27
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BU of 8i27 by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2L
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BU of 8i2l by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface
Descriptor: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I1W
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BU of 8i1w by Molmil
The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets
Descriptor: SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-13
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I2M
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BU of 8i2m by Molmil
The crystal structure of homodimeric E. coli tryptophanyl-tRNA synthetase bound with niraparib at one of its two active sites
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-14
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
8I4I
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BU of 8i4i by Molmil
The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate and L-tryptophan
Descriptor: SULFATE ION, TRYPTOPHAN, TRYPTOPHANYL-5'AMP, ...
Authors:Xiang, M, Zhou, H.
Deposit date:2023-01-19
Release date:2023-04-12
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
5XW6
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BU of 5xw6 by Molmil
Crystal structure of the chicken ATP-gated P2X7 receptor channel in the presence of competitive antagonist TNP-ATP at 3.1 Angstroms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
Authors:Kasuya, G, Hattori, M, Nureki, O.
Deposit date:2017-06-29
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the competitive inhibition of the ATP-gated P2X receptor channel
Nat Commun, 8, 2017
5ZXH
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BU of 5zxh by Molmil
The structure of MT189-tubulin complex
Descriptor: 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Li, Z.P, Wang, Y.X, Meng, T, Yang, J.L, Chen, Q.
Deposit date:2018-05-21
Release date:2019-05-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of MT189-Tubulin Complex Provides Insights into Drug Design
Lett.Drug Des.Discovery, 2019
6J36
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BU of 6j36 by Molmil
crystal structure of Mycoplasma hyopneumoniae Enolase
Descriptor: Enolase, GLYCEROL, SULFATE ION
Authors:Chen, R, Zhang, S, Gan, R, Xie, X, Feng, Z, Wang, W, Ran, T, Zhang, W, Xiang, Q, Shao, G.
Deposit date:2019-01-04
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Featured Species-Specific Loops Are Found in the Crystal Structure ofMhpEno, a Cell Surface Adhesin FromMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 9, 2019
7XXI
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BU of 7xxi by Molmil
Cryo-EM structure of the purinergic receptor P2Y12R in complex with 2MeSADP and Gi
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7XXH
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BU of 7xxh by Molmil
Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
7Y3G
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BU of 7y3g by Molmil
Cryo-EM structure of a class A orphan GPCR
Descriptor: G-protein coupled receptor 12, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Li, H, Zhang, J.Y, Luo, F.
Deposit date:2022-06-10
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural insight into the constitutive activity of human orphan receptor GPR12.
Sci Bull (Beijing), 68, 2023

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