7C8D
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![BU of 7c8d by Molmil](/molmil-images/mine/7c8d) | Cryo-EM structure of cat ACE2 and SARS-CoV-2 RBD | Descriptor: | Angiotensin-converting enzyme 2, Spike protein S1, ZINC ION | Authors: | Gao, G.F, Wang, Q.H, Wu, L.l. | Deposit date: | 2020-05-29 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Broad host range of SARS-CoV-2 and the molecular basis for SARS-CoV-2 binding to cat ACE2. Cell Discov, 6, 2020
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | Authors: | Collie, G.W, Ferguson, A.D. | Deposit date: | 2021-03-16 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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7O3U
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![BU of 7o3u by Molmil](/molmil-images/mine/7o3u) | The crystal structure of obelin from Obelia longissima bound with v-coelenterazine | Descriptor: | CALCIUM ION, Obelin, v-coelenterazine | Authors: | Larionova, M.D, Wu, L.J, Vysotski, E.S, Liu, Z.-J. | Deposit date: | 2021-04-03 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of semisynthetic obelin-v. Protein Sci., 31, 2022
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8HRD
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![BU of 8hrd by Molmil](/molmil-images/mine/8hrd) | Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ... | Authors: | Zhao, R.C, Wu, L.L, Han, P. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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4Y21
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![BU of 4y21 by Molmil](/molmil-images/mine/4y21) | Crystal Structure of Munc13-1 MUN domain | Descriptor: | Protein unc-13 homolog A | Authors: | Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C. | Deposit date: | 2015-02-09 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming. Nat.Struct.Mol.Biol., 22, 2015
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1VHR
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![BU of 1vhr by Molmil](/molmil-images/mine/1vhr) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE VHR, SULFATE ION | Authors: | Yuvaniyama, J, Denu, J.M, Dixon, J.E, Saper, M.A. | Deposit date: | 1996-02-20 | Release date: | 1996-06-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the dual specificity protein phosphatase VHR. Science, 272, 1996
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5XNB
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![BU of 5xnb by Molmil](/molmil-images/mine/5xnb) | |
8WRZ
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![BU of 8wrz by Molmil](/molmil-images/mine/8wrz) | Cry-EM structure of cannabinoid receptor-arrestin 2 complex | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | Deposit date: | 2023-10-16 | Release date: | 2024-02-28 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex. Protein Cell, 15, 2024
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7BVH
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![BU of 7bvh by Molmil](/molmil-images/mine/7bvh) | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | Authors: | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7ZLY
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![BU of 7zly by Molmil](/molmil-images/mine/7zly) | Crystal structure of human GPCR Niacin receptor (HCA2) expressed from Spodoptera frugiperda | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, OLEIC ACID | Authors: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, FiBerto, J.F, Wu, L.J, Tong, J.H, Han, G.W, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | Deposit date: | 2022-04-17 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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7ZL9
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![BU of 7zl9 by Molmil](/molmil-images/mine/7zl9) | Crystal structure of human GPCR Niacin receptor (HCA2) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Hydroxycarboxylic acid receptor 2,Soluble cytochrome b562, ... | Authors: | Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, FiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J. | Deposit date: | 2022-04-14 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the human niacin receptor HCA2-G i signalling complex. Nat Commun, 14, 2023
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5OSS
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![BU of 5oss by Molmil](/molmil-images/mine/5oss) | Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, Beta-glucosidase A, ... | Authors: | Offen, W.A, Schroeder, S.P, Davies, G.J, Overkleeft, H.S. | Deposit date: | 2017-08-18 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor. J. Am. Chem. Soc., 140, 2018
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5OST
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![BU of 5ost by Molmil](/molmil-images/mine/5ost) | Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole | Descriptor: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Davies, G.J, Offen, W.A. | Deposit date: | 2017-08-18 | Release date: | 2018-04-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor. J. Am. Chem. Soc., 140, 2018
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6Z45
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![BU of 6z45 by Molmil](/molmil-images/mine/6z45) | CDK9-Cyclin-T1 complex bound by compound 24 | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | Authors: | Ferguson, A, Collie, G.W. | Deposit date: | 2020-05-22 | Release date: | 2020-12-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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7BVC
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![BU of 7bvc by Molmil](/molmil-images/mine/7bvc) | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7BVF
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![BU of 7bvf by Molmil](/molmil-images/mine/7bvf) | Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | Descriptor: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7BVE
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![BU of 7bve by Molmil](/molmil-images/mine/7bve) | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | Descriptor: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7BVG
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![BU of 7bvg by Molmil](/molmil-images/mine/7bvg) | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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3BLT
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![BU of 3blt by Molmil](/molmil-images/mine/3blt) | |
8UV0
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![BU of 8uv0 by Molmil](/molmil-images/mine/8uv0) | |
8HJ1
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![BU of 8hj1 by Molmil](/molmil-images/mine/8hj1) | GPR21(wt) and Gs 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(s) subunit alpha isoforms short, ... | Authors: | Chen, B, Lin, X, Xu, F. | Deposit date: | 2022-11-22 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes. Nat Commun, 14, 2023
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5IVE
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![BU of 5ive by Molmil](/molmil-images/mine/5ive) | Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile) | Descriptor: | 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2016-03-20 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds. Cell Chem Biol, 23, 2016
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5IW0
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![BU of 5iw0 by Molmil](/molmil-images/mine/5iw0) | |
7V3Z
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![BU of 7v3z by Molmil](/molmil-images/mine/7v3z) | Structure of cannabinoid receptor type 1(CB1) | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | Deposit date: | 2021-08-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1. J.Am.Chem.Soc., 143, 2021
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6LCV
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![BU of 6lcv by Molmil](/molmil-images/mine/6lcv) | |