4F8H
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![BU of 4f8h by Molmil](/molmil-images/mine/4f8h) | X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel | Descriptor: | (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ... | Authors: | Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2012-05-17 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine. Structure, 20, 2012
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7CE8
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![BU of 7ce8 by Molmil](/molmil-images/mine/7ce8) | Crystal structure of T2R-TTL-Compound11 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-22 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.725 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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5JHG
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![BU of 5jhg by Molmil](/molmil-images/mine/5jhg) | Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11 | Descriptor: | GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | Authors: | Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F. | Deposit date: | 2016-04-21 | Release date: | 2017-04-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11 To Be Published
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7CDA
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![BU of 7cda by Molmil](/molmil-images/mine/7cda) | Crystal structure of T2R-TTL-PAC complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-19 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.659 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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7CEK
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![BU of 7cek by Molmil](/molmil-images/mine/7cek) | Crystal structure of T2R-TTL-BML-284 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-23 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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7CE6
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![BU of 7ce6 by Molmil](/molmil-images/mine/7ce6) | Crystal structure of T2R-TTL-Compound9 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Chen, L.J, Chen, Q, Yu, Y, Yang, J.H. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.695 Å) | Cite: | Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond. J.Med.Chem., 65, 2022
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6KY5
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![BU of 6ky5 by Molmil](/molmil-images/mine/6ky5) | Crystal structure of a hydrolase mutant | Descriptor: | PET hydrolase, SULFATE ION | Authors: | Cui, Y.L, Chen, Y.C, Liu, X.Y, Dong, S.J, Han, J, Xiang, H, Chen, Q, Liu, H.Y, Han, X, Liu, W.D, Tang, S.Y, Wu, B. | Deposit date: | 2019-09-16 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Computational redesign of PETase for plasticbiodegradation by GRAPE strategy. Biorxiv, 2020
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6K9V
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![BU of 6k9v by Molmil](/molmil-images/mine/6k9v) | Crystal structure of tubulin in complex with inhibitor D64 | Descriptor: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-06-18 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors. Febs Lett., 594, 2020
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5YQO
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![BU of 5yqo by Molmil](/molmil-images/mine/5yqo) | Crystal structure of Sirt2 in complex with selective inhibitor L5C | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQM
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![BU of 5yqm by Molmil](/molmil-images/mine/5yqm) | Crystal structure of Sirt2 in complex with selective inhibitor A29 | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.735 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YQL
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![BU of 5yql by Molmil](/molmil-images/mine/5yql) | Crystal structure of Sirt2 in complex with selective inhibitor A2I | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | Deposit date: | 2017-11-07 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells. Eur J Med Chem, 155, 2018
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5YZ3
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![BU of 5yz3 by Molmil](/molmil-images/mine/5yz3) | Crystal structure of T2R-TTL-28 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-12-12 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors. Cancer Res., 78, 2018
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5YWN
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![BU of 5ywn by Molmil](/molmil-images/mine/5ywn) | SsCR_L211H-NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protein induced by osmotic stress | Authors: | Shang, Y.P, Chen, Q, Yu, H.L, Xu, J.H. | Deposit date: | 2017-11-29 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.039 Å) | Cite: | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
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5YW4
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![BU of 5yw4 by Molmil](/molmil-images/mine/5yw4) | Structure-Guided Engineering of Reductase: Efficient Attenuating Substrate Inhibition in Asymmetric Catalysis | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Protein induced by osmotic stress | Authors: | Shang, Y.P, Chen, Q, Li, A.T, Yu, H.L, Xu, J.H. | Deposit date: | 2017-11-28 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
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5ZXH
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![BU of 5zxh by Molmil](/molmil-images/mine/5zxh) | 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
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7DRV
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![BU of 7drv by Molmil](/molmil-images/mine/7drv) | Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H. | Deposit date: | 2020-12-29 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species. Cell, 184, 2021
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6BCO
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![BU of 6bco by Molmil](/molmil-images/mine/6bco) | cryo-EM structure of TRPM4 in ATP bound state with short coiled coil at 2.9 angstrom resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4. Nature, 552, 2017
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5YWL
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![BU of 5ywl by Molmil](/molmil-images/mine/5ywl) | SsCR_L211H | Descriptor: | Protein induced by osmotic stress | Authors: | Shang, Y.P, Chen, Q, Li, A.T, Yu, H.L, Xu, J.H. | Deposit date: | 2017-11-29 | Release date: | 2019-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Attenuated substrate inhibition of a haloketone reductase via structure-guided loop engineering. J.Biotechnol., 308, 2020
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6BCL
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![BU of 6bcl by Molmil](/molmil-images/mine/6bcl) | cryo-EM structure of TRPM4 in apo state with long coiled coil at 3.5 angstrom resolution | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily M member 4 | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4. Nature, 552, 2017
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6BCJ
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![BU of 6bcj by Molmil](/molmil-images/mine/6bcj) | cryo-EM structure of TRPM4 in apo state with short coiled coil at 3.1 angstrom resolution | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily M member 4 | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4. Nature, 552, 2017
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6BSZ
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![BU of 6bsz by Molmil](/molmil-images/mine/6bsz) | Human mGlu8 Receptor complexed with glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ... | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-04 | Release date: | 2018-02-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6BCQ
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![BU of 6bcq by Molmil](/molmil-images/mine/6bcq) | cryo-EM structure of TRPM4 in ATP bound state with long coiled coil at 3.3 angstrom resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4 | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2017-10-20 | Release date: | 2017-12-13 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4. Nature, 552, 2017
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6C9A
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![BU of 6c9a by Molmil](/molmil-images/mine/6c9a) | Cryo-EM structure of mouse TPC1 channel in the PtdIns(3,5)P2-bound state | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2018-01-25 | Release date: | 2018-04-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel. Nature, 556, 2018
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6BT5
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![BU of 6bt5 by Molmil](/molmil-images/mine/6bt5) | Human mGlu8 Receptor complexed with L-AP4 | Descriptor: | (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8 | Authors: | Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J. | Deposit date: | 2017-12-05 | Release date: | 2018-02-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6C96
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![BU of 6c96 by Molmil](/molmil-images/mine/6c96) | Cryo-EM structure of mouse TPC1 channel in the apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2018-01-25 | Release date: | 2018-04-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel. Nature, 556, 2018
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