1JL9
 
 | | Crystal Structure of Human Epidermal Growth Factor | | Descriptor: | EPIDERMAL GROWTH FACTOR | | Authors: | Lu, H.S, Chai, J.J, Li, M, Huang, B.R, He, C.H, Bi, R.C. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human epidermal growth factor and its dimerization
J.Biol.Chem., 276, 2001
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6R2W
 | | Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ... | | Authors: | Sorensen, A.B, Svensson, L.A, Gandhi, P.S. | | Deposit date: | 2019-03-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
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5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
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7E6J
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser) | | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, PROPANOIC ACID, ... | | Authors: | Nakashima, Y, Brasnett, A, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Oxygenase Variants Employing a Single Protein Fe II Ligand Are Catalytically Active.
Angew.Chem.Int.Ed.Engl., 60, 2021
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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: | 2023-06-14 | | 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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4PH9
 | | The structure of Ibuprofen bound to 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: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | | Deposit date: | 2014-05-05 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
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8CN9
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4WMA
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6V3R
 | | Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2019-11-26 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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7OM4
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2PUQ
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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 | | 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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4IBL
 | | Rubidium Sites in Blood Coagulation Factor VIIa | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P. | | Deposit date: | 2012-12-08 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
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7MN8
 | | Structure of the HER2/HER3/NRG1b Heterodimer Extracellular Domain bound to Trastuzumab Fab | | 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: | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-11-10 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
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3LN1
 | | Structure of celecoxib bound at the COX-2 active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, ... | | Authors: | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | Deposit date: | 2010-02-01 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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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 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
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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 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structure of the HER2/HER4/NRG1b Heterodimer Extracellular Domain
To Be Published
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3MQE
 | | Structure of SC-75416 bound at the COX-2 active site | | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | | Deposit date: | 2010-04-28 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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5BO1
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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: | 2023-03-01 | | 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: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer.
Cell Discov, 9, 2023
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5COX
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6OFY
 | | Crystal Structure of Arachidonic Acid bound to V349I murine COX-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ... | | Authors: | Malkowski, M.G. | | Deposit date: | 2019-04-01 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex.
Biochemistry, 58, 2019
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1ESL
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6EYK
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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