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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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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2FV5
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![BU of 2fv5 by Molmil](/molmil-images/mine/2fv5) | Crystal structure of TACE in complex with IK682 | Descriptor: | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE, ADAM 17, ZINC ION | Authors: | Orth, P, Niu, X. | Deposit date: | 2006-01-30 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IK682, a tight binding inhibitor of TACE. Arch.Biochem.Biophys., 451, 2006
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6DKB
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![BU of 6dkb by Molmil](/molmil-images/mine/6dkb) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10b. | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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6DKI
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![BU of 6dki by Molmil](/molmil-images/mine/6dki) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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6DKW
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![BU of 6dkw by Molmil](/molmil-images/mine/6dkw) | |
6DKG
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![BU of 6dkg by Molmil](/molmil-images/mine/6dkg) | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | Descriptor: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, High affinity nerve growth factor receptor | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-05-29 | Release date: | 2018-07-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J. Med. Chem., 61, 2018
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3KME
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![BU of 3kme by Molmil](/molmil-images/mine/3kme) | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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7YV8
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![BU of 7yv8 by Molmil](/molmil-images/mine/7yv8) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-08-18 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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7YVU
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![BU of 7yvu by Molmil](/molmil-images/mine/7yvu) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-08-19 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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3KMC
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![BU of 3kmc by Molmil](/molmil-images/mine/3kmc) | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
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3L0V
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![BU of 3l0v by Molmil](/molmil-images/mine/3l0v) | |
3L0T
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![BU of 3l0t by Molmil](/molmil-images/mine/3l0t) | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-12-10 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and SAR of hydantoin TACE inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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8X17
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![BU of 8x17 by Molmil](/molmil-images/mine/8x17) | Cryo-EM structure of adenosine receptor A3AR bound to CF102 | Descriptor: | Adenosine receptor A3, 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: | Cai, H, Xu, Y, Xu, H.E. | Deposit date: | 2023-11-06 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists. Nat Commun, 15, 2024
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8X16
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![BU of 8x16 by Molmil](/molmil-images/mine/8x16) | Cryo-EM structure of adenosine receptor A3AR bound to CF101 | Descriptor: | Adenosine receptor A3, 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: | Cai, H, Xu, Y, Xu, H.E. | Deposit date: | 2023-11-06 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structures of adenosine receptor A 3 AR bound to selective agonists. Nat Commun, 15, 2024
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7YSH
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![BU of 7ysh by Molmil](/molmil-images/mine/7ysh) | Cryo-EM Structure of FGF23-FGFR1c-aKlotho-HS Quaternary Complex | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, COPPER (II) ION, Fibroblast growth factor 23, ... | Authors: | Mohammadi, M, Chen, L. | Deposit date: | 2022-08-12 | Release date: | 2023-04-19 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structural basis for FGF hormone signalling. Nature, 618, 2023
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7YSU
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![BU of 7ysu by Molmil](/molmil-images/mine/7ysu) | Cryo-EM Structure of FGF23-FGFR3c-aKlotho-HS Quaternary Complex | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, COPPER (II) ION, Fibroblast growth factor 23, ... | Authors: | Mohammadi, M, Chen, L. | Deposit date: | 2022-08-13 | Release date: | 2023-04-19 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for FGF hormone signalling. Nature, 618, 2023
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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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3UFC
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![BU of 3ufc by Molmil](/molmil-images/mine/3ufc) | |
6X4X
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![BU of 6x4x by Molmil](/molmil-images/mine/6x4x) | B24Y DKP insulin | Descriptor: | Insulin, Insulin chain A | Authors: | Weiss, M.A, Yang, Y. | Deposit date: | 2020-05-24 | Release date: | 2020-08-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Evolution of insulin at the edge of foldability and its medical implications. Proc.Natl.Acad.Sci.USA, 117, 2020
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3LEA
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![BU of 3lea by Molmil](/molmil-images/mine/3lea) | |
7JV8
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![BU of 7jv8 by Molmil](/molmil-images/mine/7jv8) | Human CD73 (ecto 5'-nucleotidase) in complex with compound 35 | Descriptor: | 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ... | Authors: | Gibbons, P, Du, X. | Deposit date: | 2020-08-20 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production. J.Med.Chem., 63, 2020
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7JV9
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![BU of 7jv9 by Molmil](/molmil-images/mine/7jv9) | Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | Authors: | Gibbons, P, Du, X. | Deposit date: | 2020-08-20 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production. J.Med.Chem., 63, 2020
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6A6J
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![BU of 6a6j by Molmil](/molmil-images/mine/6a6j) | Crystal structure of Zebra fish Y-box protein1 (YB-1) Cold-shock domain in complex with 6mer m5C RNA | Descriptor: | RNA (5'-R(P*CP*AP*UP*(5MC)P*U)-3'), ZINC ION, Zebra fish Y-box protein1 (YB-1) | Authors: | Zhang, M.M, Wu, B.X, Huang, Y, Ma, J.B. | Deposit date: | 2018-06-28 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | RNA 5-Methylcytosine Facilitates the Maternal-to-Zygotic Transition by Preventing Maternal mRNA Decay. Mol.Cell, 75, 2019
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6E3M
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![BU of 6e3m by Molmil](/molmil-images/mine/6e3m) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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