4TW7
| The Fk1 domain of FKBP51 in complex with iFit4 | Descriptor: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
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6KYE
| The crystal structure of recombinant human adult hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Kihira, K, Funaki, R, Okamoto, W, Endo, C, Morita, Y, Komatsu, T. | Deposit date: | 2019-09-18 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genetically engineered haemoglobin wrapped covalently with human serum albumins as an artificial O2carrier. J Mater Chem B, 8, 2020
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4TW6
| The Fk1 domain of FKBP51 in complex with iFit1 | Descriptor: | (3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5, ... | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
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4TW8
| The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL | Descriptor: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Peptidyl-prolyl cis-trans isomerase FKBP4 | Authors: | Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F. | Deposit date: | 2014-06-30 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Selective inhibitors of the FK506-binding protein 51 by induced fit. Nat.Chem.Biol., 11, 2015
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1SOA
| Human DJ-1 with sulfinic acid | Descriptor: | RNA-binding protein regulatory subunit; oncogene DJ1 | Authors: | Canet-Aviles, R, Wilson, M.A, Miller, D.W, Ahmad, R, McLendon, C, Bandyopadhyay, S, Baptista, M.J, Ringe, D, Petsko, G.A, Cookson, M.R. | Deposit date: | 2004-03-13 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Parkinson's disease protein DJ-1 is neuroprotective due to cysteine-sulfinic acid-driven mitochondrial localization. Proc.Natl.Acad.Sci.USA, 101, 2004
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4AIJ
| Crystal structure of RovA from Yersinia in complex with a rovA promoter fragment | Descriptor: | ROVA PROMOTER FRAGMENT, 5'-D(*AP*AP*TP*TP*AP*TP*AP*TP *TP*AP*TP*TP*TP*GP*AP*AP*TP*TP*AP*AP*T)-3', 5'-D(*TP*AP*TP*TP*AP*AP*TP*TP *CP*AP*AP*AP*TP*AP*AP*TP*AP*TP*AP*AP*T)-3', ... | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | Deposit date: | 2012-02-10 | Release date: | 2012-09-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia. J.Biol.Chem., 287, 2012
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4AIH
| Crystal structure of RovA from Yersinia in its free form | Descriptor: | TRANSCRIPTIONAL REGULATOR SLYA | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | Deposit date: | 2012-02-09 | Release date: | 2012-09-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia. J.Biol.Chem., 287, 2012
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4AIK
| Crystal structure of RovA from Yersinia in complex with an invasin promoter fragment | Descriptor: | ROVA PROMOTER FRAGMENT, 5'-D(*AP*TP*GP*AP*TP*AP*TP*TP *AP*TP**TP*TP*AP*TP*AP*TP*GP*AP*TP*AP*A)-3', 5'-D(*TP*TP*TP*AP*TP*CP*AP*TP *AP*TP*AP*AP*AP*TP*AP*AP*TP*AP*TP*CP*A)-3', ... | Authors: | Quade, N, Mendonca, C, Herbst, K, Heroven, A.K, Heinz, D.W, Dersch, P. | Deposit date: | 2012-02-10 | Release date: | 2012-09-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Intrinsic Thermosensing by the Master Virulence Regulator Rova of Yersinia. J.Biol.Chem., 287, 2012
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5B3F
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6VX0
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6HHF
| Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib | Descriptor: | Borussertib, RAC-alpha serine/threonine-protein kinase | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | Deposit date: | 2018-08-28 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer. Cancer Res., 79, 2019
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8D73
| Crystal Structure of EGFR LRTM with compound 7 | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | Authors: | Kim, J.L. | Deposit date: | 2022-06-07 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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8D76
| Crystal Structure of EGFR LRTM with compound 24 | Descriptor: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | Authors: | Kim, J.L. | Deposit date: | 2022-06-07 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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4RHD
| DNA Duplex with Novel ZP Base Pair | Descriptor: | DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION | Authors: | Zhang, W, Zhang, L, Benner, S, Huang, Z. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of functional six-nucleotide DNA. J.Am.Chem.Soc., 137, 2015
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2OKK
| The X-ray crystal structure of the 65kDa isoform of Glutamic Acid Decarboxylase (GAD65) | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, GLYCEROL, Glutamate decarboxylase 2 | Authors: | Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C. | Deposit date: | 2007-01-17 | Release date: | 2007-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat.Struct.Mol.Biol., 14, 2007
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6T7J
| As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase | Descriptor: | (R,R)-2,3-BUTANEDIOL, Broken Fe4S4 cluster, CITRIC ACID, ... | Authors: | Dobbek, H, Jeoung, J.-H. | Deposit date: | 2019-10-22 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The two CO-dehydrogenases of Thermococcus sp. AM4. Biochim Biophys Acta Bioenerg, 1861, 2020
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6VWY
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6VWZ
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6NL2
| Apo NIS synthetase DesD variant R306Q | Descriptor: | CHLORIDE ION, GLYCEROL, desferrioxamine E biosynthesis protein DesD | Authors: | Hoffmann, K.M. | Deposit date: | 2019-01-07 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A C-terminal Loop Mediates Cooperativity in the NIS Synthetase DesD To Be Published
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6VX1
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2OKJ
| The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67) | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase 1 | Authors: | Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C. | Deposit date: | 2007-01-17 | Release date: | 2007-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop. Nat.Struct.Mol.Biol., 14, 2007
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4CIK
| plasminogen kringle 1 in complex with inhibitor | Descriptor: | 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN | Authors: | Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D. | Deposit date: | 2013-12-10 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction. Acs Med.Chem.Lett., 5, 2014
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6FKW
| Europium-containing methanol dehydrogenase | Descriptor: | EUROPIUM ION, Methanol dehydrogenase, PYRROLOQUINOLINE QUINONE | Authors: | Barends, T, Dietl, A. | Deposit date: | 2018-01-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Similar but not the same: First Kinetic and Structural Analyses of a Methanol Dehydrogenase Containing a Europium Ion in the Active Site. Chembiochem, 2018
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3G01
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3FZZ
| Structure of GrC | Descriptor: | Granzyme C, SULFATE ION | Authors: | Buckle, A.M, Kaiserman, D, Whisstock, J.C. | Deposit date: | 2009-01-27 | Release date: | 2009-03-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of granzyme C reveals an unusual mechanism of protease autoinhibition Proc.Natl.Acad.Sci.USA, 106, 2009
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