4UVQ
 
 | | PatG Domain of Unknown Function | | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE, ZINC ION | | Authors: | Mann, G, Koehnke, J, Bent, A.F, Graham, R, Schwarz-Linek, U, Naismith, J.H. | | Deposit date: | 2014-08-07 | | Release date: | 2014-09-17 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | The Structure of the Cyanobactin Domain of Unknown Function from Patg in the Patellamide Gene Cluster
Acta Crystallogr.,Sect.F, 70, 2014
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5LMZ
 | | Fluorinase from Streptomyces sp. MA37 | | Descriptor: | 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ... | | Authors: | Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N. | | Deposit date: | 2016-08-02 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining.
Chembiochem, 15, 2014
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6SM5
 | | MbC/SHP1-C-SH2 complex | | Descriptor: | MbC (monobody targeting SHP1-C-SH2), Tyrosine-protein phosphatase non-receptor type 6 | | Authors: | Mann, G, Hantschel, O. | | Deposit date: | 2019-08-21 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | MbC/SHP1-C-SH2 complex
To Be Published
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2C0Y
 | | THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S | | Descriptor: | PROCATHEPSIN S | | Authors: | Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B. | | Deposit date: | 2005-09-08 | | Release date: | 2006-11-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
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5LHJ
 | | Bottromycin maturation enzyme BotP | | Descriptor: | CHLORIDE ION, GLYCEROL, Leucine aminopeptidase 2, ... | | Authors: | Koehnke, J, Mann, G. | | Deposit date: | 2016-07-12 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure and Substrate Recognition of the Bottromycin Maturation Enzyme BotP.
Chembiochem, 17, 2016
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7ZKE
 | | Mot1:TBP:DNA - pre-hydrolysis state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (36-MER), ... | | Authors: | Woike, S, Eustermann, S, Jung, J, Wenzl, S.J, Hagemann, G, Bartho, J.D, Lammens, K, Butryn, A, Herzog, F, Hopfner, K.-P. | | Deposit date: | 2022-04-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for TBP displacement from TATA box DNA by the Swi2/Snf2 ATPase Mot1.
Nat.Struct.Mol.Biol., 30, 2023
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5JXP
 | | Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION | | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-14 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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1K2V
 | | E. COLI PERIPLASMIC PROTEIN FHUD COMPLEXED WITH DESFERAL | | Descriptor: | DEFEROXAMINE MESYLATE FE(III) COMPLEX, Ferrichrome-binding periplasmic protein | | Authors: | Clarke, T.E, Braun, V, Winkelmann, G, Tari, L.W, Vogel, H.J. | | Deposit date: | 2001-09-29 | | Release date: | 2002-04-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | X-ray crystallographic structures of the Escherichia coli periplasmic protein FhuD bound to hydroxamate-type siderophores and the antibiotic albomycin.
J.Biol.Chem., 277, 2002
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1SW2
 | | Crystal structure of ProX from Archeoglobus fulgidus in complex with glycine betaine | | Descriptor: | TRIMETHYL GLYCINE, osmoprotection protein (proX) | | Authors: | Schiefner, A, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | | Deposit date: | 2004-03-30 | | Release date: | 2004-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J.Biol.Chem., 279, 2004
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1SW4
 | | Crystal structure of ProX from Archeoglobus fulgidus in complex with trimethyl ammonium | | Descriptor: | CHLORIDE ION, TETRAMETHYLAMMONIUM ION, ZINC ION, ... | | Authors: | Schiefner, A, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | | Deposit date: | 2004-03-30 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J.Biol.Chem., 279, 2004
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1SW5
 | | Crystal structure of ProX from Archeoglobus fulgidus in the ligand free form | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, osmoprotection protein (proX) | | Authors: | Schiefner, A, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | | Deposit date: | 2004-03-30 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J.Biol.Chem., 279, 2004
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1SW1
 | | Crystal structure of ProX from Archeoglobus fulgidus in complex with proline betaine | | Descriptor: | 1,1-DIMETHYL-PROLINIUM, ZINC ION, osmoprotection protein (proX) | | Authors: | Schiefner, A, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | | Deposit date: | 2004-03-30 | | Release date: | 2004-09-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J.Biol.Chem., 279, 2004
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4BS9
 | | Structure of the heterocyclase TruD | | Descriptor: | TRUD, ZINC ION | | Authors: | Koehnke, J, Bent, A.F, Zollman, D, Smith, K, Houssen, W.E, Zhu, X, Mann, G, Lebl, T, Scharff, R, Shirran, S, Botting, C.H, Jaspars, M, Schwarz-Linek, U, Naismith, J.H. | | Deposit date: | 2013-06-09 | | Release date: | 2013-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Cyanobactin Heterocyclase Enzyme: A Processive Adenylase that Operates with a Defined Order of Reaction.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4X2K
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X3J
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, Angiopoietin-1 receptor | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-30 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2F
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2015-10-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2N
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2J
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X2G
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4X0M
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-21 | | Release date: | 2014-12-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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4K8A
 | | Fragment-based discovery of Focal Adhesion Kinase Inhibitors | | Descriptor: | 3-bromo-5-(2H-tetrazol-5-yl)pyridine, Focal adhesion kinase 1 | | Authors: | Graedler, U, Bomke, J, Musil, D, Dresing, V, Lehmann, M, Hoelzemann, G, Esdar, C, Krier, M, Heinrich, T. | | Deposit date: | 2013-04-18 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Fragment-based discovery of focal adhesion kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5ANO
 | | Crystal structure of CDK2 processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5AMX
 | | Crystal Structure of Proteinase K processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | PROTEINASE K, SULFATE ION | | Authors: | Zander, U, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-02 | | Release date: | 2016-04-13 | | Last modified: | 2016-04-20 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5ANI
 | | Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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5ANK
 | | Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology | | Descriptor: | 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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