4MDX
 
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4MUA
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | | Authors: | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | | Deposit date: | 2013-09-21 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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4N3M
 | | Joint neutron/X-ray structure of urate oxidase in complex with 8-azaxanthine | | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, SODIUM ION, ... | | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | Deposit date: | 2013-10-07 | | Release date: | 2014-02-05 | | Last modified: | 2018-06-13 | | Method: | NEUTRON DIFFRACTION (1.919 Å), X-RAY DIFFRACTION | | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
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2EIM
 | | Zinc ion binding structure of bovine heart cytochrome C oxidase in the fully reduced state | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2007-03-13 | | Release date: | 2007-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4MZX
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y | | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ... | | Authors: | Andrews, F.H, McLeish, M.J. | | Deposit date: | 2013-09-30 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.558 Å) | | Cite: | Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced
activity towards pyruvate
To be Published
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1GWT
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1Y63
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4N9M
 | | Joint neutron/x-ray structure of urate oxidase in complex with 8-hydroxyxanthine | | Descriptor: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione, CHLORIDE ION, SODIUM ION, ... | | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-05 | | Last modified: | 2018-06-13 | | Method: | NEUTRON DIFFRACTION (2.023 Å), X-RAY DIFFRACTION | | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Plos One, 9, 2014
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1V1R
 | | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, CHLORIDE ION, ... | | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2004-04-22 | | Release date: | 2004-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
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4NLU
 | | Poliovirus Polymerase - G289A Loop Mutant | | Descriptor: | ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ... | | Authors: | Sholders, A.J, Peersen, O.B. | | Deposit date: | 2013-11-14 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
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4KMG
 | | Crystal structure of cytochrome c6B from Synechococcus sp. WH8102 | | Descriptor: | Cytochrome C6 (Soluble cytochrome F) (Cytochrome c553), HEME C, SODIUM ION | | Authors: | Zatwarnicki, P, Krzywda, S, Barciszewski, J, Jaskolski, M, Szczepaniak, A. | | Deposit date: | 2013-05-08 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cytochrome c6B of Synechococcus sp. WH 8102 - Crystal structure and basic properties of novel c6-like family representative.
Biochem.Biophys.Res.Commun., 443, 2014
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4KS4
 | | Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4K0D
 | | Periplasmic sensor domain of sensor histidine kinase, Adeh_2942 | | Descriptor: | ACETATE ION, CHLORIDE ION, Periplasmic sensor hybrid histidine kinase, ... | | Authors: | Pokkuluri, P.R, Mack, J.C, Bearden, J, Rakowski, E, Schiffer, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-04-03 | | Release date: | 2013-06-12 | | Last modified: | 2015-04-15 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Analysis of periplasmic sensor domains from Anaeromyxobacter dehalogenans 2CP-C: structure of one sensor domain from a histidine kinase and another from a chemotaxis protein.
Microbiologyopen, 2, 2013
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4KTB
 | | The crystal structure of posible asymmetric diadenosine tetraphosphate (Ap(4)A) hydrolases from Jonesia denitrificans DSM 20603 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative uncharacterized protein, ... | | Authors: | Tan, K, Kim, Y, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-20 | | Release date: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (1.936 Å) | | Cite: | The crystal structure of posible asymmetric diadenosine tetraphosphate (Ap(4)A) hydrolases from Jonesia denitrificans DSM 20603
To be Published
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4K6A
 | | Revised Crystal Structure of apo-form of Triosephosphate Isomerase (tpiA) from Escherichia coli at 1.8 Angstrom Resolution. | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Minasov, G, Kuhn, M, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
PLoS ONE, 9, 2014
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4NEH
 | | An internal ligand-bound, metastable state of a leukocyte integrin, aXb2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sen, M, Yuki, K, Springer, T.A. | | Deposit date: | 2013-10-29 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7505 Å) | | Cite: | An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2.
J.Cell Biol., 203, 2013
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4ND7
 | | Crystal structure of apo 3-nitro-tyrosine tRNA synthetase (5B) in the closed form | | Descriptor: | BETA-MERCAPTOETHANOL, SODIUM ION, Tyrosine--tRNA ligase | | Authors: | Cooley, R.B, Driggers, C.M, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2013-10-25 | | Release date: | 2014-03-19 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis of Improved Second-Generation 3-Nitro-tyrosine tRNA Synthetases.
Biochemistry, 53, 2014
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4NJI
 | | Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Mg2+ | | Descriptor: | (6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ... | | Authors: | Dowling, D.P, Bruender, N.A, Young, A.P, McCarty, R.M, Bandarian, V, Drennan, C.L. | | Deposit date: | 2013-11-10 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Radical SAM enzyme QueE defines a new minimal core fold and metal-dependent mechanism.
Nat.Chem.Biol., 10, 2014
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1V54
 | | Bovine heart cytochrome c oxidase at the fully oxidized state | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S. | | Deposit date: | 2003-11-21 | | Release date: | 2003-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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4NDA
 | | Crystal structure of 3-nitro-tyrosine tRNA synthetase (5B) bound to 3-nitro-tyrosine | | Descriptor: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | | Authors: | Cooley, R.B, Driggers, C.M, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2013-10-25 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Improved Second-Generation 3-Nitro-tyrosine tRNA Synthetases.
Biochemistry, 53, 2014
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4NAO
 | | Crystal structure of EasH | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Janke, R, Havemann, J, Vogel, D, Keller, U, Loll, B. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Cyclolization of d-lysergic Acid alkaloid peptides.
Chem.Biol., 21, 2014
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4MYQ
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4N0J
 | | Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution | | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | McGovern, R.E, Crowley, P.B. | | Deposit date: | 2013-10-02 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
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4MPT
 | | Crystal Structure of Periplasmic binding Protein Type 1 from Bordetella pertussis Tohama I | | Descriptor: | ACETIC ACID, Putative leu/ile/val-binding protein, SODIUM ION | | Authors: | Kim, Y, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-13 | | Release date: | 2013-12-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Periplasmic binding Protein Type 1 from Bordetella pertussis Tohama I
To be Published
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4NHQ
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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