4IAR
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![BU of 4iar by Molmil](/molmil-images/mine/4iar) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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4IAQ
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![BU of 4iaq by Molmil](/molmil-images/mine/4iaq) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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8G59
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![BU of 8g59 by Molmil](/molmil-images/mine/8g59) | Cryo-EM structure of the TUG891 bound GPR120-Giq complex | Descriptor: | 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-08 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID6
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![BU of 8id6 by Molmil](/molmil-images/mine/8id6) | Cryo-EM structure of the oleic acid bound GPR120-Gi complex | Descriptor: | Free fatty acid receptor 4, 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: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID9
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![BU of 8id9 by Molmil](/molmil-images/mine/8id9) | Cryo-EM structure of the eicosapentaenoic acid bound GPR120-Gi complex | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID4
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![BU of 8id4 by Molmil](/molmil-images/mine/8id4) | Cryo-EM structure of the linoleic acid bound GPR120-Gi complex | Descriptor: | Free fatty acid receptor 4, 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: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID3
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![BU of 8id3 by Molmil](/molmil-images/mine/8id3) | Cryo-EM structure of the 9-hydroxystearic acid bound GPR120-Gi complex | Descriptor: | 9-Hydroxyoctadecanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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8ID8
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![BU of 8id8 by Molmil](/molmil-images/mine/8id8) | Cryo-EM structure of the TUG891 bound GPR120-Gi complex | Descriptor: | 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | Deposit date: | 2023-02-12 | Release date: | 2023-03-15 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor. Science, 380, 2023
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6CAD
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![BU of 6cad by Molmil](/molmil-images/mine/6cad) | Crystal structure of RAF kinase domain bound to the inhibitor 2a | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | Deposit date: | 2018-01-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
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6NT5
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![BU of 6nt5 by Molmil](/molmil-images/mine/6nt5) | Cryo-EM structure of full-length human STING in the apo state | Descriptor: | Stimulator of interferon protein | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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6NT6
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![BU of 6nt6 by Molmil](/molmil-images/mine/6nt6) | Cryo-EM structure of full-length chicken STING in the apo state | Descriptor: | Stimulator of interferon genes protein | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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7LJC
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![BU of 7ljc by Molmil](/molmil-images/mine/7ljc) | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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7LJD
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![BU of 7ljd by Molmil](/molmil-images/mine/7ljd) | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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6NT8
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![BU of 6nt8 by Molmil](/molmil-images/mine/6nt8) | Cryo-EM structure of full-length chicken STING in the cGAMP-bound tetrameric state | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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6NT7
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![BU of 6nt7 by Molmil](/molmil-images/mine/6nt7) | Cryo-EM structure of full-length chicken STING in the cGAMP-bound dimeric state | Descriptor: | Stimulator of interferon genes protein, cGAMP | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | Deposit date: | 2019-01-28 | Release date: | 2019-03-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP-AMP. Nature, 567, 2019
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4QKX
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![BU of 4qkx by Molmil](/molmil-images/mine/4qkx) | Structure of beta2 adrenoceptor bound to a covalent agonist and an engineered nanobody | Descriptor: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, R9 protein, ... | Authors: | Weichert, D, Kruse, A.C, Manglik, A, Hiller, C, Zhang, C, Huebner, H, Kobilka, B.K, Gmeiner, P. | Deposit date: | 2014-06-10 | Release date: | 2014-07-23 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Covalent agonists for studying G protein-coupled receptor activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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7VWP
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![BU of 7vwp by Molmil](/molmil-images/mine/7vwp) | Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ... | Authors: | Zhang, Y, Yang, C, Zhang, L, Zhang, C. | Deposit date: | 2021-11-11 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation Nat Commun, 13, 2022
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2X4Z
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![BU of 2x4z by Molmil](/molmil-images/mine/2x4z) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | Deposit date: | 2010-02-03 | Release date: | 2010-05-19 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth. Proc.Natl.Acad.Sci.USA, 107, 2010
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9BJK
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![BU of 9bjk by Molmil](/molmil-images/mine/9bjk) | Inactive mu opioid receptor bound to Nb6, naloxone and NAM | Descriptor: | Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ... | Authors: | O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K. | Deposit date: | 2024-04-25 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | A mu-opioid receptor modulator that works cooperatively with naloxone. Nature, 631, 2024
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7V1U
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![BU of 7v1u by Molmil](/molmil-images/mine/7v1u) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-06 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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7V2J
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![BU of 7v2j by Molmil](/molmil-images/mine/7v2j) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | Authors: | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | Deposit date: | 2021-08-09 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. Acta Pharmacol.Sin., 43, 2022
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7VL8
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![BU of 7vl8 by Molmil](/molmil-images/mine/7vl8) | Cryo-EM structure of the Apo CCR1-Gi complex | Descriptor: | C-C chemokine receptor type 1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H. | Deposit date: | 2021-10-02 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1. Nat.Chem.Biol., 18, 2022
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