6D1G
| Crystal structure of NDM-1 complexed with compound 9 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D1J
| Crystal structure of NDM-1 complexed with compound 13 | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D19
| Crystal structure of KPC-2 complexed with compound 9 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D17
| Crystal structure of KPC-2 complexed with compound 3 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6D18
| Crystal structure of KPC-2 complexed with compound 6 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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6DD1
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4L9U
| Structure of C-terminal coiled coil of RasGRP1 | Descriptor: | GLYCEROL, RAS guanyl-releasing protein 1, SULFATE ION | Authors: | Iwig, J.S, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J.G, Wemmer, D.E, Roose, J.P, Kuriyan, J. | Deposit date: | 2013-06-18 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6014 Å) | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1. Elife, 2, 2013
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4L9M
| Autoinhibited state of the Ras-specific exchange factor RasGRP1 | Descriptor: | CITRIC ACID, GLYCEROL, RAS guanyl-releasing protein 1, ... | Authors: | Iwig, J.S, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J.G, Wemmer, D.E, Roose, J.P, Kuriyan, J. | Deposit date: | 2013-06-18 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1. Elife, 2, 2013
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2MA2
| Solution structure of RasGRP2 EF hands bound to calcium | Descriptor: | RAS guanyl-releasing protein 2 | Authors: | Kuriyan, J, Iwig, J, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J, Wemmer, D, Roose, J. | Deposit date: | 2013-06-24 | Release date: | 2013-08-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1. Elife, 2, 2013
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8SUN
| TMEM16F 1PBC | Descriptor: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, ... | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-05-12 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
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8TAI
| TMEM16F, with Calcium and PIP2, no inhibitor, Cl2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
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8TAL
| TMEM16F, with Calcium and PIP2, no inhibitor, Cl1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Wu, H, Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
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8SUR
| TMEM16F bound with Niclosamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ... | Authors: | Feng, S, Cheng, Y. | Deposit date: | 2023-05-13 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
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8TAG
| TMEM16F, with Calcium and PIP2, no inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | Authors: | Feng, S, Cheng, Y. | Deposit date: | 2023-06-27 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase. Nat Commun, 14, 2023
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7VGJ
| Cryo-EM structure of the human P4-type flippase ATP8B1-CDC50A in the auto-inhibited E2Pi-PS state | Descriptor: | Cell cycle control protein 50A, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, Phospholipid-transporting ATPase IC | Authors: | Chen, M.T, Chen, Y, Chen, Z.P, Zhou, C.Z, Hou, W.T, Chen, Y. | Deposit date: | 2021-09-16 | Release date: | 2022-03-30 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural insights into the activation of autoinhibited human lipid flippase ATP8B1 upon substrate binding. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VGI
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7VGH
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7YP1
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | Descriptor: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YOY
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | Descriptor: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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7YP2
| Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | Descriptor: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | Deposit date: | 2022-08-02 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection. Cell Rep Med, 4, 2023
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8CX2
| Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 2 | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ... | Authors: | Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D. | Deposit date: | 2022-05-19 | Release date: | 2023-02-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The structural basis for HIV-1 Vif antagonism of human APOBEC3G. Nature, 615, 2023
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8CX0
| Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC monomeric complex | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ... | Authors: | Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D. | Deposit date: | 2022-05-19 | Release date: | 2023-02-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | The structural basis for HIV-1 Vif antagonism of human APOBEC3G. Nature, 615, 2023
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8CX1
| Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 1 | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ... | Authors: | Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D. | Deposit date: | 2022-05-19 | Release date: | 2023-02-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structural basis for HIV-1 Vif antagonism of human APOBEC3G. Nature, 615, 2023
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5LSW
| A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ... | Authors: | Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E. | Deposit date: | 2016-09-05 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin. Nat Commun, 8, 2017
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6DFO
| Crystal structure of human GRP78 in complex with 8-bromoadenosine | Descriptor: | 8-bromoadenosine, Endoplasmic reticulum chaperone BiP | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | Deposit date: | 2018-05-15 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of human GRP78 in complex with 8-bromoadenosine To be Published
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