8B78
 
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
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8B6I
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
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4QT1
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2JNZ
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7R9W
 | | LC3A in complex with Fragment 1-1 | | Descriptor: | 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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7R9Z
 | | LC3A in complex with Fragment 2-3 | | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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7RA0
 | | LC3A in complex with Fragment 2-10 | | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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6MV5
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1L3P
 | | CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b | | Authors: | Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C. | | Deposit date: | 2002-02-28 | | Release date: | 2003-02-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the functional domain of the major grass-pollen allergen Phlp 5b.
Acta Crystallogr.,Sect.D, 58, 2002
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5C5Q
 | | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | | Descriptor: | (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2015-06-21 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5C5P
 | | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | | Descriptor: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2015-06-21 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5C5R
 | | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | | Descriptor: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ... | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2015-06-21 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5VL7
 | | PCSK9 complex with Fab33 | | Descriptor: | Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLH
 | | Short PCSK9 delta-P' complex with peptide Pep1 | | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLL
 | | Short PCSK9 delta-P' complex with peptide Pep3 | | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLK
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5VLP
 | | PCSK9 complex with LDLR antagonist peptide and Fab7G7 | | Descriptor: | Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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5VLA
 | | Short PCSK9 delta-P' complex with Fusion2 peptide | | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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4NMX
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6E4Y
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6E4Z
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2MC9
 | | Cat r 1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase | | Authors: | Mueller, G, London, R, Ghosh, D. | | Deposit date: | 2013-08-16 | | Release date: | 2014-06-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Primary identification, biochemical characterization, and immunologic properties of the allergenic pollen cyclophilin cat R 1.
J.Biol.Chem., 289, 2014
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1JM1
 | | Crystal structure of the soluble domain of the Rieske protein II (soxF) from Sulfolobus acidocaldarius | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein soxF | | Authors: | Boenisch, H, Schmidt, C.L, Schaefer, G, Ladenstein, R. | | Deposit date: | 2001-07-17 | | Release date: | 2002-07-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | The structure of the soluble domain of an archaeal Rieske iron-sulfur protein at 1.1 A resolution.
J.Mol.Biol., 319, 2002
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