7S5S
 
 | | CTX-M-15 WT in complex with BLIP WT | | Descriptor: | Beta-lactamase, Beta-lactamase inhibitory protein | | Authors: | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | | Deposit date: | 2021-09-11 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes.
Nat Commun, 13, 2022
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8EF5
 | | Fentanyl-bound mu-opioid receptor-Gi complex | | Descriptor: | CHOLESTEROL, 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EF6
 | | Morphine-bound mu-opioid receptor-Gi complex | | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFB
 | | Oliceridine-bound mu-opioid receptor-Gi 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(i) subunit alpha-1, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8GPK
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8GP5
 | | Structure of X18 UFO protomer in complex with F6 Fab VHVL domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab VH domain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPI
 | | HIV-1 Env X18 UFO in complex with 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPJ
 | | HIV-1 Env X16 UFO in complex with 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8GPG
 | | HIV-1 Env X18 UFO in complex with F6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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8EFO
 | | PZM21-bound mu-opioid receptor-Gi complex | | Descriptor: | CHOLESTEROL, 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: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFL
 | | SR17018-bound mu-opioid receptor-Gi complex | | Descriptor: | 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8EFQ
 | | DAMGO-bound mu-opioid receptor-Gi complex | | Descriptor: | DAMGO, ETHANOLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E. | | Deposit date: | 2022-09-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
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8HI8
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8HCI
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8HI7
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8H5E
 | | 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
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7UYA
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYD
 | | Inhibitor bound VIM1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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4LWT
 | | The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344 | | Descriptor: | (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Kammlott, U. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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4LWU
 | | The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 | | Descriptor: | (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Graves, B.J, Lukacs, C, Janson, C.A. | | Deposit date: | 2013-07-28 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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4MO7
 | | Crystal structure of superantigen PfiT | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Transcriptional regulator I2 | | Authors: | Liu, L.H, Chen, H, Li, H.M. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
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4DHY
 | | Crystal structure of human glucokinase in complex with glucose and activator | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-01-30 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4DXB
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