3GLR
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![BU of 3glr by Molmil](/molmil-images/mine/3glr) | Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GLT
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![BU of 3glt by Molmil](/molmil-images/mine/3glt) | Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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3GLU
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![BU of 3glu by Molmil](/molmil-images/mine/3glu) | Crystal Structure of Human SIRT3 with AceCS2 peptide | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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8H8J
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![BU of 8h8j by Molmil](/molmil-images/mine/8h8j) | Lodoxamide-bound GPR35 in complex with G13 | Descriptor: | 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ... | Authors: | Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y. | Deposit date: | 2022-10-23 | Release date: | 2023-02-08 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35. Cell Discov, 8, 2022
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5V54
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![BU of 5v54 by Molmil](/molmil-images/mine/5v54) | Crystal structure of 5-HT1B receptor in complex with methiothepin | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B | Authors: | Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y. | Deposit date: | 2017-03-13 | Release date: | 2018-02-07 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist Cell Discov, 2018
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3GLS
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![BU of 3gls by Molmil](/molmil-images/mine/3gls) | Crystal Structure of Human SIRT3 | Descriptor: | NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ... | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | Deposit date: | 2009-03-12 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes. J.Biol.Chem., 284, 2009
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4MZ4
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![BU of 4mz4 by Molmil](/molmil-images/mine/4mz4) | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2013-09-29 | Release date: | 2013-12-11 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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4JL7
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![BU of 4jl7 by Molmil](/molmil-images/mine/4jl7) | Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2013-03-12 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural Insights into Neutrophilic Migration Revealed by the Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1. Plos One, 8, 2013
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7LFY
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![BU of 7lfy by Molmil](/molmil-images/mine/7lfy) | |
7LFT
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![BU of 7lft by Molmil](/molmil-images/mine/7lft) | Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+ | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ... | Authors: | Xue, J, Han, Y, Jiang, Y. | Deposit date: | 2021-01-18 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural mechanisms of gating and selectivity of human rod CNGA1 channel. Neuron, 109, 2021
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7LFX
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![BU of 7lfx by Molmil](/molmil-images/mine/7lfx) | |
7LFW
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![BU of 7lfw by Molmil](/molmil-images/mine/7lfw) | |
7LG1
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![BU of 7lg1 by Molmil](/molmil-images/mine/7lg1) | |
4Y15
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![BU of 4y15 by Molmil](/molmil-images/mine/4y15) | SdiA in complex with 3-oxo-C6-homoserine lactone | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide, SULFATE ION, Transcriptional regulator of ftsQAZ gene cluster | Authors: | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | Deposit date: | 2015-02-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.835 Å) | Cite: | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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4Y13
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![BU of 4y13 by Molmil](/molmil-images/mine/4y13) | SdiA in complex with octanoyl-rac-glycerol | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, GLYCEROL, SULFATE ION, ... | Authors: | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | Deposit date: | 2015-02-06 | Release date: | 2015-04-08 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.096 Å) | Cite: | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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4Y17
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![BU of 4y17 by Molmil](/molmil-images/mine/4y17) | SdiA in complex with 3-oxo-C8-homoserine lactone | Descriptor: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, Transcriptional regulator of ftsQAZ gene cluster | Authors: | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | Deposit date: | 2015-02-06 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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8IV5
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![BU of 8iv5 by Molmil](/molmil-images/mine/8iv5) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV8
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![BU of 8iv8 by Molmil](/molmil-images/mine/8iv8) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement) | Descriptor: | Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IVA
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![BU of 8iva by Molmil](/molmil-images/mine/8iva) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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8IV4
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![BU of 8iv4 by Molmil](/molmil-images/mine/8iv4) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ... | Authors: | Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-03-26 | Release date: | 2023-08-16 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD. Protein Cell, 15, 2024
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5TDH
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![BU of 5tdh by Molmil](/molmil-images/mine/5tdh) | The crystal structure of the dominant negative mutant G protein alpha(i)-1-beta-1-gamma-2 G203A/A326S | Descriptor: | GUANOSINE-5'-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: | Liu, P, Jia, M.-Z, Zhou, X.E, de Waal, P.W, Dickson, B.M, Liu, B, Hou, L, Yin, Y.-T, Kang, Y.-Y, Shi, Y, Melcher, K, Xu, H.E, Jiang, Y. | Deposit date: | 2016-09-19 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of the dominant negative phenotype of the G alpha i1 beta 1 gamma 2 G203A/A326S heterotrimer Acta Pharmacol.Sin., 37, 2016
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3R65
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![BU of 3r65 by Molmil](/molmil-images/mine/3r65) | MthK channel pore E92Q mutant | Descriptor: | Calcium-gated potassium channel mthK, POTASSIUM ION | Authors: | Shi, N, Zeng, W, Ye, S, Li, Y, Jiang, Y. | Deposit date: | 2011-03-21 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crucial points within the pore as determinants of K+ channel conductance and gating J.Mol.Biol., 411, 2011
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3U4R
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![BU of 3u4r by Molmil](/molmil-images/mine/3u4r) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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3U4O
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![BU of 3u4o by Molmil](/molmil-images/mine/3u4o) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2011-10-10 | Release date: | 2011-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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8HDO
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![BU of 8hdo by Molmil](/molmil-images/mine/8hdo) | Structure of A2BR bound to synthetic agonists BAY 60-6583 | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ... | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | Deposit date: | 2022-11-05 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
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