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8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
5HXW
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BU of 5hxw by Molmil
L-amino acid deaminase from Proteus vulgaris
Descriptor: CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-01-31
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
5I39
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BU of 5i39 by Molmil
High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
Authors:Zhou, H, Ju, Y, Niu, L, Teng, M.
Deposit date:2016-02-10
Release date:2016-08-03
Last modified:2016-08-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
6L2P
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BU of 6l2p by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in the apo form
Descriptor: Threonine--tRNA ligase, ZINC ION
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2019-10-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
6L2Q
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BU of 6l2q by Molmil
Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor
Descriptor: (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ...
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2019-10-05
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9N
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BU of 5z9n by Molmil
S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine
Descriptor: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9F
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BU of 5z9f by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9L
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BU of 5z9l by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9Q
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BU of 5z9q by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-04
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z4O
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BU of 5z4o by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 4-phenoxyphenol, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-01-12
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9B
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BU of 5z9b by Molmil
Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine
Descriptor: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9M
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BU of 5z9m by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z4H
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BU of 5z4h by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-01-11
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9P
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BU of 5z9p by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-04
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
8JPN
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BU of 8jpn by Molmil
Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi
Descriptor: (2R,3S)-oxirane-2,3-dicarboxylic acid, 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:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
Deposit date:2023-06-12
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
8J22
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BU of 8j22 by Molmil
Cryo-EM structure of FFAR2 complex bound with TUG-1375
Descriptor: (2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J21
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BU of 8j21 by Molmil
Cryo-EM structure of FFAR3 complex bound with butyrate acid
Descriptor: Free fatty acid receptor 3, 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:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J20
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BU of 8j20 by Molmil
Cryo-EM structure of FFAR3 bound with valeric acid and AR420626
Descriptor: (4R)-N-[2,5-bis(chloranyl)phenyl]-4-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, Free fatty acid receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Sun, X, Tang, W, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8J24
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BU of 8j24 by Molmil
Cryo-EM structure of FFAR2 complex bound with acetic acid
Descriptor: ACETATE ION, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tai, L, Li, F, Tang, W, Sun, X, Wang, J.
Deposit date:2023-04-14
Release date:2024-01-24
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular recognition and activation mechanism of short-chain fatty acid receptors FFAR2/3.
Cell Res., 34, 2024
8K8J
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BU of 8k8j by Molmil
Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y.
Deposit date:2023-07-30
Release date:2024-02-14
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Luo, S, Ju, Y, Zhou, H.
Deposit date:2019-02-23
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
6JIO
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BU of 6jio by Molmil
Human LXR-beta in complex with a ligand
Descriptor: Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-02-22
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
6JIW
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BU of 6jiw by Molmil
Crystal structure of S. aureus CntK with C72S mutation
Descriptor: 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION
Authors:Luo, S, Ju, Y, Zhou, H.
Deposit date:2019-02-23
Release date:2019-10-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019

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