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
|
|
7BMI
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | | Descriptor: | 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
|
|
7BMJ
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | | Descriptor: | 5-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
|
|
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: | 2024-10-16 | | 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
|
|
4M11
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
|
|
5UB5
 | | human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-12-20 | | Release date: | 2017-08-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
|
|
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
|
|
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
|
|
4A7I
 | | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | | Authors: | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | | Deposit date: | 2011-11-14 | | Release date: | 2012-02-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4M10
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
|
|
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
|
|
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
|
|
5UK5
 | | Complex of Notch1(EGF8-12) bound to Jagged1(N-EGF3) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Garcia, K.C, Luca, V.C. | | Deposit date: | 2017-01-19 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Notch-Jagged complex structure implicates a catch bond in tuning ligand sensitivity.
Science, 355, 2017
|
|
4BDW
 | |
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
|
|
3ENS
 | |
3ELA
 | | Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor | | Descriptor: | CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ... | | Authors: | Bjelke, J.R, Fodje, M, Svensson, L.A. | | Deposit date: | 2008-09-21 | | Release date: | 2008-11-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
|
|
7MN6
 | | Structure of the HER2 S310F/HER3/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: | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-10-27 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
|
|
7MN5
 | | Structure of the HER2/HER3/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: | Diwanji, D, Trenker, R, Verba, K.A, Jura, N. | | Deposit date: | 2021-04-30 | | Release date: | 2021-10-27 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
|
|
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: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structures of the HER2-HER3-NRG1 beta complex reveal a dynamic dimer interface.
Nature, 600, 2021
|
|
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: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
|
|
6EYI
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | | Descriptor: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]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: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
|
|
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
|
|
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
|
|
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
|
|
