4ZVD
 
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4ZVH
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4ZVE
 | | Crystal structure of GGDEF domain of the E. coli DosC - form I (apo-form) | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Diguanylate cyclase DosC | | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2015-05-18 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase.
Acta Crystallogr.,Sect.D, 71, 2015
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5AB7
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4ZVA
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8AQX
 | | streptavidin mutant S112I with an iridium catalyst for CH activation | | Descriptor: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-14 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8AQD
 | | Hydrophobic probe bound to Streptavidin - 1 | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-12 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hydrophobic probe bound to Streptavidin - 1
To Be Published
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8AQJ
 | | Hydrophobic probe bound to Streptavidin - 2 | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-12 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Hydrophobic probe bound to Streptavidin - 2
To Be Published
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2J92
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8B2T
 | | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-09-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
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8AYB
 | | anammox-specific FabZ from Scalindua brodae | | Descriptor: | Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase | | Authors: | Dietl, A, Barends, T.R.M. | | Deposit date: | 2022-09-02 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 2023
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8AN4
 | | MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv | | Descriptor: | Bacterial toxin | | Authors: | Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. | | Deposit date: | 2022-08-04 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding.
Nat Commun, 14, 2023
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8AN5
 | | MenAT1 toxin-antitoxin complex (rv0078a-rv0078b) from Mycobacterium tuberculosis H37Rv | | Descriptor: | Bacterial toxin, Conserved protein | | Authors: | Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P. | | Deposit date: | 2022-08-04 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding.
Nat Commun, 14, 2023
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8AQO
 | | Streptavidin with a bisbiothinilated Fe4S4 cluster | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide, Streptavidin | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-13 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hydrophobic probe bound to Streptavidin - 1
To Be Published
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8AQY
 | | streptavidin mutant S112A with an iridium catalyst for CH activation | | Descriptor: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-15 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | streptavidin mutant S112A with an iridium catalyst for CH activation
To Be Published
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2J8T
 | | Human aldose reductase in complex with NADP and citrate at 0.82 angstrom | | Descriptor: | ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ... | | Authors: | Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R. | | Deposit date: | 2006-10-27 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.82 Å) | | Cite: | The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007
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8BY1
 | | streptavidin with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8BY0
 | | streptavidin mutant S112I K121R with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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2GLX
 | | Crystal Structure Analysis of bacterial 1,5-AF Reductase | | Descriptor: | 1,5-anhydro-D-fructose reductase, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Dambe, T.R, Scheidig, A.J. | | Deposit date: | 2006-04-05 | | Release date: | 2006-08-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of NADP(H)-Dependent 1,5-Anhydro-d-fructose Reductase from Sinorhizobium morelense at 2.2 A Resolution: Construction of a NADH-Accepting Mutant and Its Application in Rare Sugar Synthesis
Biochemistry, 45, 2006
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2GWR
 | | Crystal structure of the response regulator protein mtrA from Mycobacterium Tuberculosis | | Descriptor: | CALCIUM ION, DNA-binding response regulator mtrA, GLYCEROL | | Authors: | Friedland, N, Mack, T.R, Yu, M, Bursey, E.H, Hung, L.W, Stock, A.M, Waldo, G.S, Terwilliger, T.C. | | Deposit date: | 2006-05-05 | | Release date: | 2006-05-23 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Domain orientation in the inactive response regulator Mycobacterium tuberculosis MtrA provides a barrier to activation.
Biochemistry, 46, 2007
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2H9T
 | | Crystal structure of human alpha-thrombin in complex with suramin | | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, PPACK active site thrombin inhibitor, Thrombin | | Authors: | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | | Deposit date: | 2006-06-11 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.
Biochim.Biophys.Acta, 1794, 2009
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2I46
 | | Crystal structure of human TPP1 | | Descriptor: | Adrenocortical dysplasia protein homolog | | Authors: | Wang, F, Podell, E.R, Zaug, A.J, Yang, Y.T, Baciu, P, Else, T, Hammer, G.D, Cech, T.R, Lei, M. | | Deposit date: | 2006-08-21 | | Release date: | 2006-11-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The POT1-TPP1 telomere complex is a telomerase processivity factor.
Nature, 445, 2007
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2K0B
 | | NMR structure of the UBA domain of p62 (SQSTM1) | | Descriptor: | Sequestosome-1 | | Authors: | Long, J.E, Ciani, B, Gallagher, T.R.A, Cavey, J.R, Sheppard, P.W, Layfield, R, Searle, M.S. | | Deposit date: | 2008-01-31 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conformation and dynamics of the three-helix bundle UBA domain of p62 from experiment and simulation.
Proteins, 71, 2007
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2JYH
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2J9X
 | | Tryptophan Synthase in complex with GP, alpha-D,L-glycerol-phosphate, Cs, pH6.5 - alpha aminoacrylate form - (GP)E(A-A) | | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CESIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Ngo, H, Kimmich, N, Harris, R, Niks, D, Blumenstein, L, Kulik, V, Barends, T.R, Schlichting, I, Dunn, M.F. | | Deposit date: | 2006-11-16 | | Release date: | 2007-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric Regulation of Substrate Channeling in Tryptophan Synthase: Modulation of the L-Serine Reaction in Stage I of the Beta-Reaction by Alpha-Site Ligands.
Biochemistry, 46, 2007
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