1JRP
| Crystal Structure of Xanthine Dehydrogenase inhibited by alloxanthine from Rhodobacter capsulatus | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Truglio, J.J, Theis, K, Leimkuhler, S, Rappa, R, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2001-08-14 | Release date: | 2002-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus Structure, 10, 2002
|
|
5A93
| 293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY | Descriptor: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5A91
| 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5A90
| 100K Neutron Ligand Free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | BETA-LACTAMASE CTX-M-97 | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
2KTT
| Solution Structure of a Covalently Bound Pyrrolo[2,1-c][1,4]benzodiazepine-Benzimidazole Hybrid to a 10mer DNA Duplex | Descriptor: | (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Weingarth, M, Langel, W, Kamal, A, Kumar, P.P, Weisz, K. | Deposit date: | 2010-02-08 | Release date: | 2010-03-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a covalently bound pyrrolo[2,1-c][1,4]benzodiazepine-benzimidazole hybrid to a 10mer DNA duplex. Biochemistry, 48, 2009
|
|
4CA3
| SOLUTION STRUCTURE OF STREPTOMYCES VIRGINIAE VIRA ACP5B | Descriptor: | HYBRID POLYKETIDE SYNTHASE-NON RIBOSOMAL PEPTIDE SYNTHETASE | Authors: | Davison, J, Dorival, J, Rabeharindranto, M.H, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2013-10-05 | Release date: | 2014-06-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Insights Into the Function of Trans-Acyl Transferase Polyketide Synthases from the Saxs Structure of a Complete Module. Chem.Sci., 2014
|
|
1JRO
| Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Truglio, J.J, Theis, K, Leimkuhler, S, Rappa, R, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2001-08-14 | Release date: | 2002-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the active and alloxanthine-inhibited forms of xanthine dehydrogenase from Rhodobacter capsulatus Structure, 10, 2002
|
|
6FJH
| Crystal structure of the seleniated LkcE from Streptomyces rochei | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LkcE, OXYGEN MOLECULE, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2018-01-22 | Release date: | 2018-09-19 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
|
|
6F4Z
| |
6FFR
| DNA-RNA Hybrid Quadruplex with Flipped Tetrad | Descriptor: | DNA/RNA (5'-R(*G)-D(P*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*GP*GP*GP*GP*AP*C)-R(P*G)-D(P*GP*G)-3') | Authors: | Haase, L, Dickerhoff, J, Weisz, K. | Deposit date: | 2018-01-09 | Release date: | 2018-09-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | DNA-RNA Hybrid Quadruplexes Reveal Interactions that Favor RNA Parallel Topologies. Chemistry, 24, 2018
|
|
6C79
| Conformational Changes in a Class A Beta lactamase that Prime it for Catalysis | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase Toho-1, SULFATE ION | Authors: | Coates, L, Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M. | Deposit date: | 2018-01-22 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
|
|
6F7V
| Crystal structure of LkcE E64Q mutant in complex with LC-KA05 | Descriptor: | CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2017-12-12 | Release date: | 2018-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
|
|
6C78
| Substrate Binding Induces Conformational Changes In A Class A Beta Lactamase That Primes It For Catalysis | Descriptor: | Beta-lactamase Toho-1 | Authors: | Langan, P.S, Vandavasi, V.G, Cooper, S.J, Weiss, K.L, Ginell, S.L, Parks, J.M, Coates, L. | Deposit date: | 2018-01-22 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (1.75 Å) | Cite: | Substrate Binding Induces Conformational Changes in a Class A Beta-lactamase That Prime It for Catalysis Acs Catalysis, 8, 2018
|
|
4C3Q
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 | Authors: | Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. | Deposit date: | 2013-08-26 | Release date: | 2014-07-09 | Last modified: | 2017-03-22 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits J.Appl.Crystallogr., 47, 2014
|
|
3GFP
| Structure of the C-terminal domain of the DEAD-box protein Dbp5 | Descriptor: | DEAD box protein 5 | Authors: | Erzberger, J.P, Dossani, Z.Y, Weirich, C.S, Weis, K, Berger, J.M. | Deposit date: | 2009-02-27 | Release date: | 2009-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the C-terminus of the mRNA export factor Dbp5 reveals the interaction surface for the ATPase activator Gle1 Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7KKU
| X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, PHOSPHATE ION, Superoxide dismutase [Mn], ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
|
|
7KKS
| Neutron structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
|
|
7KKW
| Neutron structure of Reduced Human MnSOD | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2024-04-10 | Method: | NEUTRON DIFFRACTION (2.3 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
|
|
6ERL
| |
2XVM
| Crystal structure of the tellurite detoxification protein TehB from E. coli in complex with SAH | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, TELLURITE RESISTANCE PROTEIN TEHB | Authors: | Choudhury, H.G, Cameron, A.D, Iwata, S, Beis, K. | Deposit date: | 2010-10-26 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structure and Mechanism of the Chalcogen Detoxifying Protein Tehb from Escherichia Coli. Biochem.J., 435, 2011
|
|
2JUG
| |
1QGR
| STRUCTURE OF IMPORTIN BETA BOUND TO THE IBB DOMAIN OF IMPORTIN ALPHA (II CRYSTAL FORM, GROWN AT LOW PH) | Descriptor: | PROTEIN (IMPORTIN ALPHA-2 SUBUNIT), PROTEIN (IMPORTIN BETA SUBUNIT) | Authors: | Cingolani, G, Petosa, C, Weis, K, Muller, C.W. | Deposit date: | 1999-05-04 | Release date: | 1999-05-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of importin-beta bound to the IBB domain of importin-alpha. Nature, 399, 1999
|
|
2KY7
| NMR Structural Studies on the Covalent DNA Binding of a Pyrrolobenzodiazepine-Naphthalimide Conjugate | Descriptor: | 2-{2-[4-(3-{[(11aS)-7-methoxy-5-oxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy}propyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5'-D(*AP*AP*CP*AP*AP*TP*TP*GP*TP*T)-3' | Authors: | Rettig, M, Langel, W, Kamal, A, Weisz, K. | Deposit date: | 2010-05-17 | Release date: | 2010-06-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structural studies on the covalent DNA binding of a pyrrolobenzodiazepine-naphthalimide conjugate Org.Biomol.Chem., 8, 2010
|
|
1QGK
| STRUCTURE OF IMPORTIN BETA BOUND TO THE IBB DOMAIN OF IMPORTIN ALPHA | Descriptor: | PROTEIN (IMPORTIN ALPHA-2 SUBUNIT), PROTEIN (IMPORTIN BETA SUBUNIT) | Authors: | Cingolani, G, Petosa, C, Weis, K, Muller, C.W. | Deposit date: | 1999-04-29 | Release date: | 1999-05-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of importin-beta bound to the IBB domain of importin-alpha. Nature, 399, 1999
|
|
2MF4
| 1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a | Descriptor: | Hybrid polyketide synthase-non ribosomal peptide synthetase | Authors: | Davison, J, Dorival, J, Rabeharindranto, M.H, Mazon, H, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2013-10-05 | Release date: | 2014-06-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR assignements of ACP5a To be Published
|
|