4MUB
 
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | 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 (1.75 Å) | | Cite: | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
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4NIJ
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-11-06 | | Release date: | 2014-09-17 | | Last modified: | 2015-06-24 | | Method: | X-RAY DIFFRACTION (1.86 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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4NHT
 | | X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (6 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 (1.65 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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1OJA
 | | HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH ISATIN | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN | | Authors: | Binda, C, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2003-07-08 | | Release date: | 2003-08-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights Into the Mode of Inhibition of Human Mitochondrial Monoamine Oxidase B from High-Resolution Crystal Structures
Proc.Natl.Acad.Sci.USA, 100, 2003
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1OJQ
 | | The crystal structure of C3stau2 from S. aureus | | Descriptor: | ADP-RIBOSYLTRANSFERASE | | Authors: | Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R. | | Deposit date: | 2003-07-15 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad
J.Biol.Chem., 278, 2003
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1OJ9
 | | HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 1,4-DIPHENYL-2-BUTENE | | Descriptor: | 1,4-DIPHENYL-2-BUTENE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2003-07-08 | | Release date: | 2003-08-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights Into the Mode of Inhibition of Human Mitochondrial Monoamine Oxidase B from High-Resolution Crystal Structures
Proc.Natl.Acad.Sci.USA, 100, 2003
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1P8S
 | | Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I. | | Descriptor: | Arginase 1, MANGANESE (II) ION | | Authors: | Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W. | | Deposit date: | 2003-05-07 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and functional importance of first-shell metal ligands in the binuclear
manganese cluster of arginase I
Biochemistry, 42, 2003
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1OJC
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1OJZ
 | | The crystal structure of C3stau2 from S. aureus with NAD | | Descriptor: | ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R. | | Deposit date: | 2003-07-16 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad
J.Biol.Chem., 278, 2003
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1PA4
 | | Solution structure of a putative ribosome-binding factor from Mycoplasma pneumoniae (MPN156) | | Descriptor: | Probable ribosome-binding factor A | | Authors: | Rubin, S.M, Pelton, J.G, Yokota, H, Kim, R, Wemmer, D.E, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2003-05-13 | | Release date: | 2004-03-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a putative ribosome binding protein from Mycoplasma pneumoniae and comparison to a distant homolog.
J.STRUCT.FUNCT.GENOM., 4, 2003
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1P8R
 | | Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I. | | Descriptor: | Arginase 1, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W. | | Deposit date: | 2003-05-07 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional importance of first-shell metal ligands in the binuclear
manganese cluster of arginase I
Biochemistry, 42, 2003
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3RBH
 | | Structure of alginate export protein AlgE from Pseudomonas aeruginosa | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Alginate production protein AlgE, ... | | Authors: | Whitney, J.C, Hay, I.D, Li, C, Eckford, P.D, Robinson, H, Amaya, M.F, Wood, L.F, Ohman, D.E, Bear, C.E, Rehm, B.H, Howell, P.L. | | Deposit date: | 2011-03-29 | | Release date: | 2011-07-27 | | Last modified: | 2011-08-24 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural basis for alginate secretion across the bacterial outer membrane.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3IYP
 | | The Interaction of Decay-accelerating Factor with Echovirus 7 | | Descriptor: | Capsid protein, Complement decay-accelerating factor, LAURIC ACID, ... | | Authors: | Plevka, P, Hafenstein, S, Zhang, Y, Harris, K.G, Cifuente, J.O, Bowman, V.D, Chipman, P.R, Lin, F, Medof, D.E, Bator, C.M, Rossmann, M.G. | | Deposit date: | 2010-04-07 | | Release date: | 2010-11-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Interaction of decay-accelerating factor with echovirus 7.
J.Virol., 84, 2010
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3RV1
 | | Crystal structure of the N-terminal and RNase III domains of K. polysporus Dcr1 E224Q mutant | | Descriptor: | K. polysporus Dcr1 | | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | | Deposit date: | 2011-05-05 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | The inside-out mechanism of dicers from budding yeasts.
Cell(Cambridge,Mass.), 146, 2011
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3RW9
 | | Crystal Structure of human Spermidine Synthase in Complex with decarboxylated S-adenosylhomocysteine | | Descriptor: | 5'-S-(3-aminopropyl)-5'-thioadenosine, Spermidine synthase | | Authors: | Seckute, J, McCloskey, D.E, Thomas, H.J, Secrist III, J.A, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2011-05-08 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding and inhibition of human spermidine synthase by decarboxylated S-adenosylhomocysteine.
Protein Sci., 20, 2011
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4MCM
 | | Human SOD1 C57S Mutant, As-isolated | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S. | | Deposit date: | 2013-08-21 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
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5BUI
 | | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | | Descriptor: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5AOQ
 | | Structural basis of neurohormone perception by the receptor tyrosine kinase Torso | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PREPROPTTH, TORSO | | Authors: | Jenni, S, Goyal, Y, von Grotthuss, M, Shvartsman, S.Y, Klein, D.E. | | Deposit date: | 2015-09-11 | | Release date: | 2015-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Neurohormone Perception by the Receptor Tyrosine Kinase Torso.
Mol.Cell, 60, 2015
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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5C0U
 | | Crystal structure of the copper-bound form of MerB mutant D99S | | Descriptor: | Alkylmercury lyase, BROMIDE ION, COPPER (II) ION | | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | | Deposit date: | 2015-06-12 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
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5C23
 | | Parkin (S65DUblR0RBR) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | | Deposit date: | 2015-06-15 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
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5SSS
 | | DHFR:NADP+:FOL complex at 270 K (crystal 1) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | Deposit date: | 2022-07-03 | | Release date: | 2023-08-23 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5SST
 | | DHFR:NADP+:FOL complex at 270 K (crystal 2) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | Deposit date: | 2022-07-03 | | Release date: | 2023-08-23 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5SSW
 | | DHFR:NADP+:FOL complex at 270 K (multi-crystal) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | Deposit date: | 2022-07-03 | | Release date: | 2023-08-23 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5SSU
 | | DHFR:NADP+:FOL complex at 270 K (crystal 3) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R. | | Deposit date: | 2022-07-03 | | Release date: | 2023-08-23 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
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