4UR8
 
 | | Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with 2-oxoadipic acid | | Descriptor: | 2-OXOADIPIC ACID, FORMIC ACID, KETO-DEOXY-D-GALACTARATE DEHYDRATASE | | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2014-06-26 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Structure and Function of a Decarboxylating Agrobacterium Tumefaciens Keto-Deoxy-D-Galactarate Dehydratase.
Biochemistry, 53, 2014
|
|
3STZ
 | | KcsA potassium channel mutant Y82C with nitroxide spin label | | Descriptor: | POTASSIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Voltage-gated potassium channel, ... | | Authors: | Raghuraman, H, Cordero-Morales, J, Jogini, V, Perozo, E. | | Deposit date: | 2011-07-11 | | Release date: | 2012-04-18 | | Last modified: | 2012-10-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Cd(2+) Coordination during Slow Inactivation in Potassium Channels.
Structure, 20, 2012
|
|
4MGK
 | | Selective activation of Epac1 and Epac2 | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Rap guanine nucleotide exchange factor 4, Ras-related protein Rap-1b, ... | | Authors: | Rehmann, H. | | Deposit date: | 2013-08-28 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Selective activation of Epac1 and Epac2
To be Published
|
|
4MGZ
 | | Selective activation of Epac1 and Epac2 | | Descriptor: | (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide, Rap guanine nucleotide exchange factor 4, Ras-related protein Rap-1b, ... | | Authors: | Rehmann, H. | | Deposit date: | 2013-08-29 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Selective activation of Epac1 and Epac2
To be Published
|
|
5E7U
 | |
4UUY
 | | Structural Identification of the Vps18 beta-propeller reveals a critical role in the HOPS complex stability and function. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Behrmann, H, Gohlke, U, Heinemann, U. | | Deposit date: | 2014-08-01 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Identification of the Vps18 Beta-Propeller Reveals a Critical Role in the Hops Complex Stability and Function.
J.Biol.Chem., 289, 2014
|
|
4UR7
 | | Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with pyruvate | | Descriptor: | FORMIC ACID, GLYCEROL, KETO-DEOXY-D-GALACTARATE DEHYDRATASE | | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | | Deposit date: | 2014-06-26 | | Release date: | 2014-12-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structure and Function of a Decarboxylating Agrobacterium Tumefaciens Keto-Deoxy-D-Galactarate Dehydratase.
Biochemistry, 53, 2014
|
|
4CPD
 | | Alcohol dehydrogenase TADH from Thermus sp. ATN1 | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G. | | Deposit date: | 2014-02-05 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the Nadh-Dependent Thermostable Alcohol Dehydrogenase Tadh from Thermus Sp. Atn1 Provides a Platform for Engineering Specificity and Improved Compatibility with Inorganic Cofactor-Regeneration Catalysts
J.Mol.Catal., B Enzym., 105, 2014
|
|
4C4O
 | | Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH | | Descriptor: | 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2013-09-06 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties
Chemcatchem, 6, 2014
|
|
4BMS
 | | Short chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 in complex with NADPH | | Descriptor: | ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Man, H, Kulig, J, Rother, D, Grogan, G. | | Deposit date: | 2013-05-10 | | Release date: | 2014-03-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones
Top.Catal., 57, 2014
|
|
4BMV
 | | Short-chain dehydrogenase from Sphingobium yanoikuyae in complex with NADPH | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SHORT-CHAIN DEHYDROGENASE | | Authors: | Man, H, Kedziora, K, Lavandera-Garcia, I, Gotor-Fernandez, V, Grogan, G. | | Deposit date: | 2013-05-10 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones
Top.Catal., 57, 2014
|
|
4D3S
 | | Imine reductase from Nocardiopsis halophila | | Descriptor: | IMINE REDUCTASE, octyl beta-D-glucopyranoside | | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2014-10-23 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
|
|
4D3D
 | | Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2 | | Descriptor: | IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL | | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2014-10-21 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
|
|
4D3F
 | | BcSIRED from Bacillus cereus in complex with NADPH | | Descriptor: | IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2014-10-21 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
|
|
4BMN
 | | apo structure of short-chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 | | Descriptor: | 1,2-ETHANEDIOL, ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Man, H, Kulig, J, Rother, D, Grogan, G. | | Deposit date: | 2013-05-10 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones
Top.Catal., 57, 2014
|
|
2GDA
 | | REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN | | Descriptor: | GLUCOCORTICOID RECEPTOR, ZINC ION | | Authors: | Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T. | | Deposit date: | 1994-03-15 | | Release date: | 1994-06-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
|
|
7ATM
 | | Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) | | Descriptor: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-10-30 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7ATO
 | | Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2) | | Descriptor: | (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-10-30 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7AU0
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) | | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-02 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7ATX
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | | Descriptor: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-01 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7AU8
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | | Descriptor: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-02 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7AU9
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) | | Descriptor: | GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-02 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7ATW
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | | Descriptor: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-01 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7AUB
 | | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | | Descriptor: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-02 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.907 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
7AUH
 | | Structure of P. aeruginosa PBP3 in complex with vaborbactam | | Descriptor: | GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam | | Authors: | Newman, H, Bellini, B, Dowson, C.G. | | Deposit date: | 2020-11-03 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
|
|
