1TOZ
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![BU of 1toz by Molmil](/molmil-images/mine/1toz) | NMR structure of the human NOTCH-1 ligand binding region | Descriptor: | Neurogenic locus notch homolog protein 1 | Authors: | Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K. | Deposit date: | 2004-06-15 | Release date: | 2004-10-12 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Structural and functional properties of the human notch-1 ligand binding region STRUCTURE, 12, 2004
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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1TPG
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![BU of 1tpg by Molmil](/molmil-images/mine/1tpg) | F1-G MODULE PAIR RESIDUES 1-91 (C83S) OF TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (NMR, 298K, PH2.95, REPRESENTATIVE STRUCTURE) | Descriptor: | T-PLASMINOGEN ACTIVATOR F1-G | Authors: | Smith, B.O, Downing, A.K, Driscoll, P.C, Dudgeon, T.J, Campbell, I.D. | Deposit date: | 1995-06-14 | Release date: | 1995-09-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | The solution structure and backbone dynamics of the fibronectin type I and epidermal growth factor-like pair of modules of tissue-type plasminogen activator. Structure, 3, 1995
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1W2K
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![BU of 1w2k by Molmil](/molmil-images/mine/1w2k) | tf7a_4380 complex | Descriptor: | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-07-06 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1W0Y
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![BU of 1w0y by Molmil](/molmil-images/mine/1w0y) | tf7a_3771 complex | Descriptor: | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-05-27 | Release date: | 2005-01-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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2Y7X
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![BU of 2y7x by Molmil](/molmil-images/mine/2y7x) | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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6YYW
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![BU of 6yyw by Molmil](/molmil-images/mine/6yyw) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2020-05-06 | Release date: | 2021-03-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
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6YYY
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![BU of 6yyy by Molmil](/molmil-images/mine/6yyy) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2020-05-06 | Release date: | 2021-03-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
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6Z6Q
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![BU of 6z6q by Molmil](/molmil-images/mine/6z6q) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2020-05-29 | Release date: | 2021-03-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
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6Z6R
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![BU of 6z6r by Molmil](/molmil-images/mine/6z6r) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2020-05-29 | Release date: | 2021-03-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. Chem Sci, 12, 2020
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6YYX
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![BU of 6yyx by Molmil](/molmil-images/mine/6yyx) | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | Deposit date: | 2020-05-06 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase Chem Sci, 12, 2021
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2ZZU
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![BU of 2zzu by Molmil](/molmil-images/mine/2zzu) | Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine | Descriptor: | 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2009-02-25 | Release date: | 2009-03-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of peptidomimetic factor VIIa inhibitors Chem.Pharm.Bull., 58, 2010
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2ZP0
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![BU of 2zp0 by Molmil](/molmil-images/mine/2zp0) | Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | Deposit date: | 2008-06-20 | Release date: | 2008-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin LETT.DRUG DES.DISCOVERY, 2, 2005
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2ZWL
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![BU of 2zwl by Molmil](/molmil-images/mine/2zwl) | Human factor viia-tissue factor complexed with highly selective peptide inhibitor | Descriptor: | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | Deposit date: | 2008-12-16 | Release date: | 2009-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human factor viia-tissue factor complexed with highly selective peptide inhibitor To be Published
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3CFW
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![BU of 3cfw by Molmil](/molmil-images/mine/3cfw) | L-selectin lectin and EGF domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, L-selectin, ... | Authors: | Mehta, P, Oganesyan, V, Terzyan, S, Mather, T, McEver, R.P. | Deposit date: | 2008-03-04 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force. J.Biol.Chem., 292, 2017
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3HPT
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![BU of 3hpt by Molmil](/molmil-images/mine/3hpt) | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | Deposit date: | 2009-06-04 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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3HS5
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![BU of 3hs5 by Molmil](/molmil-images/mine/3hs5) | X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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3HS6
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![BU of 3hs6 by Molmil](/molmil-images/mine/3hs6) | X-ray crystal structure of eicosapentaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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3HS7
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![BU of 3hs7 by Molmil](/molmil-images/mine/3hs7) | X-ray crystal structure of docosahexaenoic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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5FDQ
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![BU of 5fdq by Molmil](/molmil-images/mine/5fdq) | Murine COX-2 S530T mutant | Descriptor: | 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
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7SZ1
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![BU of 7sz1 by Molmil](/molmil-images/mine/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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7SYD
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![BU of 7syd by Molmil](/molmil-images/mine/7syd) | Cryo-EM structure of the extracellular module of the full-length EGFR 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: | 2021-11-24 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.1 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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7SYE
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![BU of 7sye by Molmil](/molmil-images/mine/7sye) | Cryo-EM structure of the extracellular module of the full-length EGFR 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: | 2021-11-24 | Release date: | 2021-12-22 | 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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7SZ0
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![BU of 7sz0 by Molmil](/molmil-images/mine/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 | 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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5FM9
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![BU of 5fm9 by Molmil](/molmil-images/mine/5fm9) | human Notch 1, EGF 4-7 | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | Deposit date: | 2015-11-02 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies. Structure, 24, 2016
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