1LUW
 
 | | CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL | | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | | Authors: | Hearn, A.S, Stroupe, M.E, Ramilo, C.A, Luba, J.P, Cabelli, D.E, Tainer, J.A, Silverman, D.N. | | Deposit date: | 2002-05-23 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel
Biochemistry, 42, 2003
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7A4S
 | | Structure of DYRK1A in complex with compound 2 | | Descriptor: | 7-chlorothieno[3,2-c]pyridin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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3KLQ
 | | Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S | | Descriptor: | GLYCEROL, Putative pilus anchoring protein | | Authors: | Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N. | | Deposit date: | 2009-11-08 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
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7A4Z
 | | Structure of DYRK1A in complex with compound 4 | | Descriptor: | 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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7A5L
 | | tructure of DYRK1A in complex with compound 24 | | Descriptor: | 4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-21 | | Release date: | 2021-06-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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4L92
 | | Structure of the RBP from lactococcal phage 1358 in complex with 2 GlcNAc molecules | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor Binding Protein, ... | | Authors: | Farenc, C, Spinelli, S, Bebeacua, C, Tremblay, D, Orlov, I, Blangy, S, Klaholz, B.P, Moineau, S, Cambillau, C. | | Deposit date: | 2013-06-18 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Virulent Siphophage CyoEM Structure and Host Recognition and Infection Mechanism
To be Published
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7A5N
 | | Structure of DYRK1A in complex with compound 34 | | Descriptor: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | | Deposit date: | 2020-08-21 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
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4L9M
 | | Autoinhibited state of the Ras-specific exchange factor RasGRP1 | | Descriptor: | CITRIC ACID, GLYCEROL, RAS guanyl-releasing protein 1, ... | | Authors: | Iwig, J.S, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J.G, Wemmer, D.E, Roose, J.P, Kuriyan, J. | | Deposit date: | 2013-06-18 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1.
Elife, 2, 2013
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1E0Q
 | | Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin | | Descriptor: | POLYUBIQUITIN-B | | Authors: | Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H. | | Deposit date: | 2000-04-05 | | Release date: | 2001-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding.
Protein Sci., 9, 2000
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3L3Z
 | | Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3 | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 3 | | Authors: | Zhou, X.E, Suino-Powell, K.M, Li, J, He, A, MacKeigan, J.P, Melcher, K, Yong, E.-L, Xu, H.E. | | Deposit date: | 2009-12-18 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor.
J.Biol.Chem., 285, 2010
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6VAX
 | | Crystal structure of human SDHA-SDHAF2 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2019-12-18 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The roles of SDHAF2 and dicarboxylate in covalent flavinylation of SDHA, the human complex II flavoprotein.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4L2J
 | | Crystal Structure of Osmotin, an antifungal laticifer protein | | Descriptor: | Osmotin: antifungal laticifer protein | | Authors: | Moreno, F.B.M.B, de Oliveira, R.S.B, de Azevedo Moreira, R, Lobo, M.D.P, de Freitas, C.D.T, Ramos, M.V, Grangeiro, T.B, Brandao Neto, J, D'Muniz Pereira, H, Monteiro-Moreira, A.C.O. | | Deposit date: | 2013-06-04 | | Release date: | 2014-06-04 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of an antifungal laticifer protein
To be Published
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1DQI
 | | CRYSTAL STRUCTURE OF SUPEROXIDE REDUCTASE FROM P. FURIOSUS IN THE OXIDIZED STATE AT 1.7 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, SUPEROXIDE REDUCTASE | | Authors: | Yeh, A.P, Hu, Y, Jenney Jr, F.E, Adams, M.W.W, Rees, D.C. | | Deposit date: | 2000-01-04 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the superoxide reductase from Pyrococcus furiosus in the oxidized and reduced states.
Biochemistry, 39, 2000
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3KPN
 | | Crystal Structure of HLA B*4403 in complex with EEYLQAFTY a self peptide from the ABCD3 protein | | Descriptor: | Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ... | | Authors: | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | | Deposit date: | 2009-11-16 | | Release date: | 2009-12-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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6CCI
 | | The Crystal Structure of XOAT1 | | 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: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2018-02-07 | | Release date: | 2019-02-20 | | Last modified: | 2020-09-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Mechanism of Polysaccharide Acetylation by the Arabidopsis XylanO-acetyltransferase XOAT1.
Plant Cell, 32, 2020
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1M9D
 | | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) O-type chimera Complex. | | Descriptor: | Cyclophilin A, HIV-1 Capsid | | Authors: | Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2002-07-28 | | Release date: | 2003-05-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
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4QYE
 | | CHK1 kinase domain in complex with diarylpyrazine compound 1 | | Descriptor: | 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
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3KLO
 | | Vibrio cholerae VpsT bound to c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Transcriptional regulator VpsT | | Authors: | Krasteva, P.V, Navarro, V.A.S, Sondermann, H. | | Deposit date: | 2009-11-08 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Vibrio cholerae VpsT Regulates Matrix Production and Motility by Directly Sensing Cyclic di-GMP.
Science, 327, 2010
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6GUB
 | | CDK2/CyclinA in complex with Flavopiridol | | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6ZND
 | | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone, ... | | Authors: | Tresadern, G, Leonard, P.M. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration.
J.Med.Chem., 63, 2020
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6ZNO
 | | The pointed end complex of dynactin with the p150 projection docked | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | | Authors: | Lau, C.K, Lacey, S.E, Carter, A.P. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end.
Embo J., 40, 2021
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4LDT
 | | The structure of h/ceOTUB1-ubiquitin aldehyde-UBCH5B~Ub | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Ubiquitin, ... | | Authors: | Wiener, R, DiBello, A.T, Lombardi, P.M, Guzzo, C.M, Zhang, X, Matunis, M.J, Wolberger, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | E2 ubiquitin-conjugating enzymes regulate the deubiquitinating activity of OTUB1.
Nat.Struct.Mol.Biol., 20, 2013
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1M4T
 | | Biosynthetic thiolase, Cys89 butyrylated | | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION | | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | | Deposit date: | 2002-07-03 | | Release date: | 2002-11-29 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational
journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002
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1E0B
 | | Chromo shadow domain from fission yeast swi6 protein. | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, SWI6 PROTEIN | | Authors: | Cowieson, N.P, Partridge, J.F, Allshire, R.C, Mclaughlin, P.J. | | Deposit date: | 2000-03-16 | | Release date: | 2000-05-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dimerisation of Chromo Shadow Domain and Distinctions from the Chromodomain as Revealed by Structural Analysis
Curr.Biol., 10, 2000
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4QUG
 | | Caspase-3 M61A | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ... | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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