7B80
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![BU of 7b80 by Molmil](/molmil-images/mine/7b80) | DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Perera, L.A, Ron, D. | Deposit date: | 2020-12-12 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of a deAMPylation complex rationalise the switch between antagonistic catalytic activities of FICD. Nat Commun, 12, 2021
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7B8H
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![BU of 7b8h by Molmil](/molmil-images/mine/7b8h) | Monoclinic structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | Descriptor: | 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, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2020-12-12 | Release date: | 2021-02-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin. Eur.J.Med.Chem., 214, 2021
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7B8I
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![BU of 7b8i by Molmil](/molmil-images/mine/7b8i) | Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | 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, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2020-12-12 | Release date: | 2021-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin. Eur.J.Med.Chem., 214, 2021
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7L0Q
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![BU of 7l0q by Molmil](/molmil-images/mine/7l0q) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0R
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![BU of 7l0r by Molmil](/molmil-images/mine/7l0r) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0P
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![BU of 7l0p by Molmil](/molmil-images/mine/7l0p) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0S
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![BU of 7l0s by Molmil](/molmil-images/mine/7l0s) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7B7R
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![BU of 7b7r by Molmil](/molmil-images/mine/7b7r) | MEK1 in complex with compound 4 | Descriptor: | 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Kack, H, Oster, L. | Deposit date: | 2020-12-11 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders. Acs Med.Chem.Lett., 12, 2021
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7B7S
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![BU of 7b7s by Molmil](/molmil-images/mine/7b7s) | CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | Descriptor: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | Deposit date: | 2020-12-11 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | 3 H -Pyrazolo[4,3- f ]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo. J.Med.Chem., 64, 2021
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7L0F
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![BU of 7l0f by Molmil](/molmil-images/mine/7l0f) | Monobody 12VC3 Bound to HRAS(WT) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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7L0G
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![BU of 7l0g by Molmil](/molmil-images/mine/7l0g) | Monobody 12VC1 Bound to HRAS(G12C) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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5S7F
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![BU of 5s7f by Molmil](/molmil-images/mine/5s7f) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S7O
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![BU of 5s7o by Molmil](/molmil-images/mine/5s7o) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | XChem group deposition To Be Published
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5S7R
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![BU of 5s7r by Molmil](/molmil-images/mine/5s7r) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010918a | Descriptor: | 1,2-ETHANEDIOL, 1lambda~6~,2-thiazetidine-1,1-dione, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | XChem group deposition To Be Published
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5S80
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![BU of 5s80 by Molmil](/molmil-images/mine/5s80) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | XChem group deposition To Be Published
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5S7J
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![BU of 5s7j by Molmil](/molmil-images/mine/5s7j) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000893d | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R)-oxolan-2-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | XChem group deposition To Be Published
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5S7U
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![BU of 5s7u by Molmil](/molmil-images/mine/5s7u) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010938a | Descriptor: | (4S)-1-methylimidazolidin-4-amine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | XChem group deposition To Be Published
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5S82
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![BU of 5s82 by Molmil](/molmil-images/mine/5s82) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | XChem group deposition To Be Published
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7L0J
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![BU of 7l0j by Molmil](/molmil-images/mine/7l0j) | Structure of AMH bound to AMHR2-ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Muellerian hormone type-2 receptor, Muellerian-inhibiting factor, ... | Authors: | Hart, K.N, Thompson, T.B. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of AMH bound to AMHR2 provides insight into a unique signaling pair in the TGF-beta family. Proc.Natl.Acad.Sci.USA, 118, 2021
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7L05
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![BU of 7l05 by Molmil](/molmil-images/mine/7l05) | Complex of novel maytansinoid M24 bound to T2R-TTL (two tubulin alpha/beta heterodimers, RB3 stathmin-like domain, and tubulin tyrosine ligase) | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name), 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Franklin, M.C. | Deposit date: | 2020-12-11 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | A Biparatopic Antibody-Drug Conjugate to Treat MET-Expressing Cancers, Including Those that Are Unresponsive to MET Pathway Blockade. Mol.Cancer Ther., 20, 2021
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5S7N
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![BU of 5s7n by Molmil](/molmil-images/mine/5s7n) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | Descriptor: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7W
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![BU of 5s7w by Molmil](/molmil-images/mine/5s7w) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | XChem group deposition To Be Published
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5S7Y
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![BU of 5s7y by Molmil](/molmil-images/mine/5s7y) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a | Descriptor: | (2S,4R)-1,3-thiazolidine-2,4-diamine, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | XChem group deposition To Be Published
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5S84
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![BU of 5s84 by Molmil](/molmil-images/mine/5s84) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010949a | Descriptor: | 1,2-ETHANEDIOL, 1-[(4R)-1,3-oxazolidin-4-yl]methanamine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | XChem group deposition To Be Published
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5S8A
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![BU of 5s8a by Molmil](/molmil-images/mine/5s8a) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074484b | Descriptor: | (4S)-imidazolidine-4-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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