3WXU
| |
8K72
| Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | Descriptor: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
|
|
6CIW
| |
8BN1
| The structures of Ace2 in complex with bicyclic peptide inhibitor | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | Deposit date: | 2022-11-11 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
|
|
8B9P
| ACE2 in complex with bicyclic peptide inhibitor | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | Deposit date: | 2022-10-06 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
|
|
8BO7
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
|
|
8BFW
| The structures of Ace2 in complex with bicyclic peptide inhibitor | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | Deposit date: | 2022-10-27 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
|
|
4DAJ
| Structure of the M3 Muscarinic Acetylcholine Receptor | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | Authors: | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | Deposit date: | 2012-01-12 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature, 482, 2012
|
|
6FYI
| X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | Authors: | Kallen, J. | Deposit date: | 2018-03-12 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
|
|
1RNO
| RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | Deposit date: | 1995-11-08 | Release date: | 1996-04-03 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
1GPL
| RP2 LIPASE | Descriptor: | CALCIUM ION, RP2 LIPASE | Authors: | Withers-Martinez, C, Cambillau, C. | Deposit date: | 1996-07-13 | Release date: | 1997-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A pancreatic lipase with a phospholipase A1 activity: crystal structure of a chimeric pancreatic lipase-related protein 2 from guinea pig. Structure, 4, 1996
|
|
5NWZ
| |
4U5D
| Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.5757 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
|
|
4U5B
| Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.5037 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
|
|
4U5F
| Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-24 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
|
|
4U5C
| Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist FW and postitive modulator (R,R)-2b complex | Descriptor: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.6883 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
|
|
4U5E
| Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | Authors: | Chen, L, Gouaux, E. | Deposit date: | 2014-07-25 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5073 Å) | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
|
|
2BCE
| CHOLESTEROL ESTERASE FROM BOS TAURUS | Descriptor: | CHOLESTEROL ESTERASE | Authors: | Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. | Deposit date: | 1998-01-28 | Release date: | 1999-02-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation. Biochemistry, 37, 1998
|
|
1Z7X
| X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I | Descriptor: | CITRIC ACID, Ribonuclease I, Ribonuclease inhibitor | Authors: | McCoy, J.G, Johnson, R.J, Raines, R.T, Bitto, E, Bingman, C.A, Wesenberg, G.E, Allard, S.T.M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-03-28 | Release date: | 2005-06-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor protein. J.Mol.Biol., 368, 2007
|
|
3CFK
| Crystal structure of catalytic elimination antibody 34E4, triclinic crystal form | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CATALYTIC ANTIBODY FAB 34E4 HEAVY CHAIN,Uncharacterized protein, ... | Authors: | Debler, E.W, Wilson, I.A. | Deposit date: | 2008-03-04 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational isomerism can limit antibody catalysis. J.Biol.Chem., 283, 2008
|
|
7S3S
| |
5VSZ
| |
7S3K
| |
6EMT
| |
8QC2
| Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Pickles, I.B, Sharma, M, Davies, G.J. | Deposit date: | 2023-08-25 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism. J.Am.Chem.Soc., 145, 2023
|
|