5BY2
 
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3G1Q
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | | Authors: | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H. | | Deposit date: | 2009-01-30 | | Release date: | 2009-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
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3TF2
 | | Crystal structure of the cap free human translation initiation factor eIF4E | | Descriptor: | Eukaryotic translation initiation factor 4E, UNKNOWN ATOM OR ION | | Authors: | Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-08-15 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the allosteric effects of 4EBP1 on the eukaryotic translation initiation factor eIF4E.
J.Mol.Biol., 415, 2012
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3KCY
 | | Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline | | Descriptor: | FE (II) ION, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Moon, H, Han, S, Choe, J. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
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3KCX
 | | Factor inhibiting HIF-1 alpha in complex with Clioquinol | | Descriptor: | 5-chloro-7-iodoquinolin-8-ol, FE (II) ION, GLYCEROL, ... | | Authors: | Moon, H, Han, S, Choe, J. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
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4M7Y
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | | Authors: | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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3U7X
 | | Crystal structure of the human eIF4E-4EBP1 peptide complex without cap | | Descriptor: | Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1, SULFATE ION, ... | | Authors: | Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-10-14 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into the Allosteric Effects of 4EBP1 on the Eukaryotic Translation Initiation Factor eIF4E.
J.Mol.Biol., 415, 2012
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5WDE
 | | Crystal structure of the KIFC3 motor domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ... | | Authors: | Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
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4IKC
 | | Crystal Structure of catalytic domain of PTPRQ | | Descriptor: | CHLORIDE ION, Phosphotidylinositol phosphatase PTPRQ, SULFATE ION | | Authors: | Yu, K.R, Ryu, S.E, Kim, S.J. | | Deposit date: | 2012-12-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural basis for the dephosphorylating activity of PTPRQ towards phosphatidylinositide substrates
Acta Crystallogr.,Sect.D, 69, 2013
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5ELZ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-05 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
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6KFV
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4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4PTE
 | | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4PTG
 | | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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8HTG
 | | Crystal structure of Golf in complex with GTP-gamma S and Mg | | Descriptor: | 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ... | | Authors: | Kang, H, Choi, H.-J. | | Deposit date: | 2022-12-21 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
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3C6G
 | | Crystal structure of CYP2R1 in complex with vitamin D3 | | Descriptor: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | Authors: | Strushkevich, N.V, Min, J, Loppnau, P, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-04 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of CYP2R1 in complex with vitamin D3.
J.Mol.Biol., 380, 2008
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8HTI
 | | Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein | | Descriptor: | Consensus Olfactory Receptor OR52c, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | | Deposit date: | 2022-12-21 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
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6EBV
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Type II pantothenate kinase | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H, Park, H. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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8J46
 | | Human Consensus Olfactory Receptor OR52c in apo state, OR52c-bRIL | | Descriptor: | Olfactory receptor OR52c,Soluble cytochrome b562 | | Authors: | Choi, C.W, Bae, J, Choi, H.-J, Kim, J. | | Deposit date: | 2023-04-19 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
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5ENM
 | | Compound 10 | | Descriptor: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Lewis, H.A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
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5ENK
 | | Compound 18 | | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Lewis, H.A. | | Deposit date: | 2015-11-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
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5B89
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5B7U
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5B7S
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5B87
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