6ZHO
 
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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1W82
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA | | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | | Deposit date: | 2004-09-16 | | Release date: | 2005-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
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4OYI
 | | Human solAC Complexed with (4-Amino-furazan-3-yl)-phenyl-methanone | | Descriptor: | (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone, Adenylate cyclase type 10, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYW
 | | Crystal Structure of Human Soluble Adenylate Cyclase | | Descriptor: | Adenylate cyclase type 10, CHLORIDE ION, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYM
 | | Human solAC Complexed with (4-Amino-furazan-3-yl)-(3-methoxy-phenyl)-methanone | | Descriptor: | (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, Adenylate cyclase type 10, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYX
 | | Human solAC Complexed with AMPCPP | | Descriptor: | Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYB
 | | Crystal Structure Analysis of the solAC | | Descriptor: | Adenylate cyclase type 10, GLYCEROL, ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-11 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYO
 | | Human solAC Complexed with 4-(2-Chlorophenyl)-3-methyl-1H-pyrazole | | Descriptor: | 4-(2-chlorophenyl)-5-methyl-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OZ3
 | | Human solAC Complexed with 4-phenyl-3-(trifluoromethyl)-1H-pyrazole | | Descriptor: | 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYP
 | | Human solAC Complexed with 1-Benzofuran-2-carboxylic acid | | Descriptor: | 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-12 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OZ2
 | | Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole | | Descriptor: | 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ... | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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4OYA
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4OYZ
 | | Human solAC Complexed with Bicarbonate | | Descriptor: | Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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2OHL
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2OHK
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2OF0
 | | X-ray crystal structure of beta secretase complexed with compound 5 | | Descriptor: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-02 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
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2OHN
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2OHM
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