1MX1
| Crystal Structure of Human Liver Carboxylesterase in complex with tacrine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, ... | Authors: | Bencharit, S, Morton, C.L, Hyatt, J.L, Kuhn, P, Danks, M.K, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's
Drug Tacrine: From Binding Promiscuity to Selective Inhibition CHEM.BIOL., 10, 2003
|
|
1MX9
| Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue | Descriptor: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, liver Carboxylesterase I | Authors: | Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme Nat.Struct.Biol., 10, 2003
|
|
1MX5
| Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, HOMOTROPINE, ... | Authors: | Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R. | Deposit date: | 2002-10-01 | Release date: | 2003-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme Nat.Struct.Biol., 10, 2003
|
|
5HGI
| Crystal structure of apo human IRE1 alpha | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ... | Authors: | Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.584 Å) | Cite: | Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands. Acs Chem.Biol., 11, 2016
|
|
3O6Y
| Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J.K, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-29 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
|
|
3NXF
| Robust computational design, optimization, and structural characterization of retroaldol enzymes | Descriptor: | Retro-Aldolase, SULFATE ION | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | Deposit date: | 2010-07-13 | Release date: | 2011-06-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415, 2012
|
|
6RSU
| TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
|
|
6RSR
| TBK1 in complex with compound 2 | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
|
|
6RST
| TBK1 in complex with inhibitor compound 24 | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
|
|
1YA4
| Crystal Structure of Human Liver Carboxylesterase 1 in complex with tamoxifen | Descriptor: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CES1 protein, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
1YAJ
| Crystal Structure of Human Liver Carboxylesterase in complex with benzil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZOIC ACID, CES1 protein, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.M, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
1YA8
| Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | Descriptor: | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL, 2-METHYLBUTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | Deposit date: | 2004-12-17 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil. J.Mol.Biol., 352, 2005
|
|
4ZWN
| Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae | Descriptor: | Monoglyceride lipase, NITRATE ION, SODIUM ION, ... | Authors: | Aschauer, P, Rengachari, S, Gruber, K, Oberer, M. | Deposit date: | 2015-05-19 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p. Biochim.Biophys.Acta, 1861, 2016
|
|
4ZXF
| Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | Descriptor: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | Authors: | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | Deposit date: | 2015-05-20 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p. Biochim.Biophys.Acta, 1861, 2016
|
|
7LQM
| |
7LQN
| |
1GO9
| |
1GOE
| |
3HKF
| Murine unglycosylated IgG Fc fragment | Descriptor: | CHLORIDE ION, Igh protein, MAGNESIUM ION | Authors: | Feige, M.J, Nath, S, Catharino, S.R, Weinfurtner, D, Steinbacher, S, Buchner, J. | Deposit date: | 2009-05-23 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the murine unglycosylated IgG1 Fc fragment J.Mol.Biol., 391, 2009
|
|