1XKI
 
 | | Crystal structure of human tear lipocalin/von Ebners gland protein | | Descriptor: | CHLORIDE ION, Von Ebner's gland protein, ZINC ION | | Authors: | Breustedt, D.A, Korndoerfer, I.P, Redl, B, Skerra, A. | | Deposit date: | 2004-09-29 | | Release date: | 2004-10-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8-A crystal structure of human tear lipocalin reveals an extended branched cavity with capacity for multiple ligands
J.Biol.Chem., 280, 2005
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2KF6
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2KF4
 | | Barnase high pressure structure | | Descriptor: | Ribonuclease | | Authors: | Williamson, M.P, Wilton, D.J. | | Deposit date: | 2009-02-11 | | Release date: | 2009-12-08 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Pressure-dependent structure changes in barnase on ligand binding reveal intermediate rate fluctuations.
Biophys.J., 97, 2009
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2VEB
 | | High resolution structure of protoglobin from Methanosarcina acetivorans C2A | | Descriptor: | GLYCEROL, OXYGEN MOLECULE, PHOSPHATE ION, ... | | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | | Deposit date: | 2007-10-18 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity.
Embo Rep., 9, 2008
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3JD2
 | | Glutamate dehydrogenase in complex with NADH, open conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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2KF3
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2KF5
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7WWG
 | | Crystal structure of Saccharomyces cerevisiae Sfh2 complexed with phosphatidylinositol in an open conformation | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Phosphatidylinositol transfer protein CSR1 | | Authors: | Chen, L, Tan, L, Im, Y.J. | | Deposit date: | 2022-02-12 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Acta Crystallogr D Struct Biol, 78, 2022
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7WWD
 | | Crystal structure of Saccharomyces cerevisiae Sfh2 complexed with squalene | | Descriptor: | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, Phosphatidylinositol transfer protein CSR1 | | Authors: | Chen, L, Tan, L, Im, Y.J. | | Deposit date: | 2022-02-12 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Acta Crystallogr D Struct Biol, 78, 2022
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7WWE
 | | Crystal structure of Saccharomyces cerevisiae Sfh2 in an apo form | | Descriptor: | Phosphatidylinositol transfer protein CSR1 | | Authors: | Chen, L, Tan, L, Im, Y.J. | | Deposit date: | 2022-02-12 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Acta Crystallogr D Struct Biol, 78, 2022
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7WVT
 | | Crystal structure of Saccharomyces cerevisiae Sfh2 complexed with phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Phosphatidylinositol transfer protein CSR1 | | Authors: | Chen, L, Tan, L, Im, Y.J. | | Deposit date: | 2022-02-11 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis of ligand recognition and transport by Sfh2, a yeast phosphatidylinositol transfer protein of the Sec14 superfamily.
Acta Crystallogr D Struct Biol, 78, 2022
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2VEE
 | | Structure of protoglobin from Methanosarcina acetivorans C2A | | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | | Deposit date: | 2007-10-22 | | Release date: | 2008-01-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity.
Embo Rep., 9, 2008
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2XDK
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-AMINO-4-PYRIDYL-PYRIMIDINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-04 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XHT
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XHX
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XK2
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-07 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XHR
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-06-21 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XDL
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-METHYL-4-DIETHYLAMIDE-PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-04 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XDX
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-10 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2HEZ
 | | Bifidobacterium longum bile salt hydrolase | | Descriptor: | Bile salt hydrolase, SULFATE ION | | Authors: | Suresh, C.G, Kumar, R.S, Brannigan, J.A. | | Deposit date: | 2006-06-22 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Analysis of a Conjugated Bile Salt Hydrolase from Bifidobacterium longum Reveals an Evolutionary Relationship with Penicillin V Acylase.
J.Biol.Chem., 281, 2006
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2PHO
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1YI4
 | | Structure of Pim-1 bound to adenosine | | Descriptor: | ADENOSINE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | | Deposit date: | 2005-01-11 | | Release date: | 2005-01-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.
J.Biol.Chem., 280, 2005
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3GER
 | | Guanine riboswitch bound to 6-chloroguanine | | Descriptor: | 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Gilbert, S.D, Batey, R.T. | | Deposit date: | 2009-02-25 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
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2EG7
 | | The crystal structure of E. coli dihydroorotase complexed with HDDP | | Descriptor: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID, Dihydroorotase, ZINC ION | | Authors: | Lee, M, Maher, M.J, Guss, J.M. | | Deposit date: | 2007-02-28 | | Release date: | 2007-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design
J.Mol.Biol., 370, 2007
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1VK8
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