9CTH
 
 | | Preliminary map of the Prothrombin-prothrombinase complex on nano discs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated Factor V (FVa) heavy chain, Activated Factor V (FVa) light chain, ... | | Authors: | Stojanovski, B.M, Mohammed, B.M, Di Cera, E. | | Deposit date: | 2024-07-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (6.47 Å) | | Cite: | The Prothrombin-Prothrombinase Interaction.
Subcell Biochem, 104, 2024
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9B3N
 | | Human Notch-1 EGFs 20-24 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Neurogenic locus notch homolog protein 1, ... | | Authors: | Johnson, S, Suckling, R, Handford, P.A, Lea, S.M. | | Deposit date: | 2024-03-19 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional studies of the EGF20-27 region reveal new features of the human Notch receptor important for optimal activation
To Be Published
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9B3G
 | | Human Notch-1 EGFs 21-23 | | Descriptor: | BARIUM ION, Neurogenic locus notch homolog protein 1 | | Authors: | Johnson, S, Sheppard, D, Handford, P.A, Lea, S.M. | | Deposit date: | 2024-03-19 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and functional studies of the EGF20-27 region reveal new features of the human Notch receptor important for optimal activation
To Be Published
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8R5L
 | | E-selectin complexed with glycomimetic ligand BW850 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S},5~{R})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-[3-[1-[3-oxidanylidene-3-[(3,6,8-trisulfonaphthalen-1-yl)amino]propyl]-1,2,3-triazol-4-yl]propylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Ernst, B, Maier, T. | | Deposit date: | 2023-11-17 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Analogues of the pan-selectin antagonist rivipansel (GMI-1070).
Eur.J.Med.Chem., 272, 2024
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8R5M
 | | E-selectin complexed with glycomimetic ligand DS0567 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(1~{R},2~{R},3~{S})-3-ethyl-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-cyclohexyl]oxy-6-(hydroxymethyl)-5-oxidanyl-3-(phenylcarbonyloxy)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Ernst, B, Maier, T. | | Deposit date: | 2023-11-17 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Analogues of the pan-selectin antagonist rivipansel (GMI-1070).
Eur.J.Med.Chem., 272, 2024
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8QQ6
 | | CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR | | Descriptor: | 2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2023-10-03 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystallography and molecular simulations capture S1 pocket
collapse in allosteric regulation of factor VIIa and other serine
proteases.
to be published
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8QOD
 | | CRYSTAL STRUCTURE OF FVIIA IN COMPLEX WITH A BENZAMIDINE-BASED INHIBITOR | | Descriptor: | 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2023-09-28 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.573 Å) | | Cite: | Crystallography and molecular simulations capture S1 pocket
collapse in allosteric regulation of factor VIIa and other serine
proteases.
To be published
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8U4I
 | | Structure of the HER4/NRG1b Homodimer Extracellular Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ... | | Authors: | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | Deposit date: | 2023-09-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural dynamics of the active HER4 and HER2/HER4 complexes is finely tuned by different growth factors and glycosylation.
Elife, 12, 2024
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8U4L
 | | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 6 of Pro-neuregulin-1, ... | | Authors: | Trenker, R, Diwanji, D, Bingham, T, Verba, K.A, Jura, N. | | Deposit date: | 2023-09-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structural dynamics of the active HER4 and HER2/HER4 complexes is finely tuned by different growth factors and glycosylation.
Elife, 12, 2024
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8OS5
 | | Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction | | Descriptor: | Coagulation factor XII-Mie | | Authors: | Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J. | | Deposit date: | 2023-04-18 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
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8S9P
 | | 1:1:1 agrin/LRP4/MuSK complex | | Descriptor: | Agrin, Low-density lipoprotein receptor-related protein 4, Muscle, ... | | Authors: | Xie, T, Xu, G.J, Liu, Y, Quade, B, Lin, W.C, Bai, X.C. | | Deposit date: | 2023-03-29 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the assembly of the agrin/LRP4/MuSK signaling complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8CN9
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8HGO
 | | The EGF-bound EGFR/HER2 ectodomain complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, ... | | Authors: | Zhang, Z, Bai, X. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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8HGS
 | | The EGF-bound EGFR ectodomain homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Pro-epidermal growth factor, ... | | Authors: | Zhang, Z, Bai, X. | | Deposit date: | 2022-11-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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8ET0
 | | Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | | Authors: | Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J. | | Deposit date: | 2022-10-15 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9
To Be Published
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8EPH
 | | Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA | | Descriptor: | CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ... | | Authors: | Kolyadko, V.N, Krishnaswamy, S. | | Deposit date: | 2022-10-05 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8EOK
 | | Structure of the C3bB proconvertase in complex with lufaxin and factor Xa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated factor Xa heavy chain, Complement C3 beta chain, ... | | Authors: | Andersen, J.F, Lei, H. | | Deposit date: | 2022-10-03 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
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7YBC
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7YB8
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7YBB
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7YB9
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8D1B
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7TPP
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7SZ0
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-juxtaposed" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-22 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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7SZ1
 | | Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation | | Descriptor: | Epidermal growth factor, Epidermal growth factor receptor | | Authors: | Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
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