7EBC
 
 | | Crystal structure of Isocitrate lyase-1 from Saccaromyces cervisiae | | Descriptor: | Isocitrate lyase, MAGNESIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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7EBE
 | | Crystal structure of Isocitrate lyase-1 from Candida albicans | | Descriptor: | FORMIC ACID, Isocitrate lyase, MAGNESIUM ION | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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7EBF
 | | Cryo-EM structure of Isocitrate lyase-1 from Candida albicans | | Descriptor: | Isocitrate lyase | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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2WTL
 | | Crystal structure of BfrA from M. tuberculosis | | Descriptor: | BACTERIOFERRITIN, FE (III) ION, UNKNOWN ATOM OR ION, ... | | Authors: | Gupta, V, Gupta, R.K, Khare, G, Salunke, D.M, Tyagi, A.K. | | Deposit date: | 2009-09-17 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal Structure of Bfra from Mycobacterium Tuberculosis:Incorporation of Selenomethionine Results in Cleavage and Demetallation of Haem
Plos One, 4, 2009
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5UFO
 | | Structure of RORgt bound to | | Descriptor: | (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | | Authors: | Spurlino, J. | | Deposit date: | 2017-01-05 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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5MXD
 | | BACE-1 IN COMPLEX WITH LIGAND 32397778 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine | | Authors: | Alexander, R. | | Deposit date: | 2017-01-23 | | Release date: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Human Beta Secretase 1 In Complex With Ligand 32397778
to be published
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5UHI
 | | Structure of RORgt bound to | | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol, Nuclear receptor ROR-gamma | | Authors: | Spurlino, J, Abad, M. | | Deposit date: | 2017-01-11 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.198 Å) | | Cite: | Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
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7BVK
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1W6O
 | | X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH LACTOSE | | Descriptor: | BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION, ... | | Authors: | Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A. | | Deposit date: | 2004-08-20 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
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6YIL
 | | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | | Descriptor: | (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP | | Authors: | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
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2ZQZ
 | | R-state structure of allosteric L-lactate dehydrogenase from Lactobacillus casei | | Descriptor: | L-lactate dehydrogenase, SULFATE ION | | Authors: | Arai, K, Ishimitsu, T, Fushinobu, S, Uchikoba, H, Matsuzawa, H, Taguchi, H. | | Deposit date: | 2008-08-22 | | Release date: | 2009-09-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Active and inactive state structures of unliganded Lactobacillus casei allosteric L-lactate dehydrogenase.
Proteins, 78, 2010
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7BVJ
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6Y1P
 | | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | | Descriptor: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2020-02-13 | | Release date: | 2021-02-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
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6XUM
 | | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid) | | Descriptor: | Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2020-01-20 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
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1W6Q
 | | X-RAY CRYSTAL STRUCTURE OF R111H HUMAN GALECTIN-1 | | Descriptor: | BETA-MERCAPTOETHANOL, GALECTIN-1 | | Authors: | Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A. | | Deposit date: | 2004-08-21 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
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6SLY
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5M6K
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1W6N
 | | X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 | | Descriptor: | BETA-MERCAPTOETHANOL, GALECTIN-1, SULFATE ION | | Authors: | Lopez-Lucendo, M.I.F, Solis, D, Kaltner, H, Gabius, H.J, Romero, A. | | Deposit date: | 2004-08-19 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
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4HQU
 | | Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | | Descriptor: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | | Authors: | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | | Deposit date: | 2012-10-26 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1W9W
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5SVE
 | | Structure of Calcineurin in complex with NFATc1 LxVP peptide | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | Authors: | Sheftic, S.R, Page, R, Peti, W. | | Deposit date: | 2016-08-05 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Investigating the human Calcineurin Interaction Network using the pi LxVP SLiM.
Sci Rep, 6, 2016
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3A45
 | | Crystal structure of MvNei1_2 | | Descriptor: | Formamidopyrimidine-DNA glycosylase, POTASSIUM ION | | Authors: | Imamura, K, Wallace, S, Doublie, S. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
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6T0P
 | | Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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2XTK
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4I6G
 | | a vertebrate cryptochrome with FAD | | Descriptor: | Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Xing, W, Busino, L, Hinds, T.R, Marionni, S.T, Saifee, N.H, Bush, M.F, Pagano, M, Zheng, N. | | Deposit date: | 2012-11-29 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | SCFFBXL3 ubiquitin ligase targets cryptochromes at their cofactor pocket.
Nature, 496, 2013
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