2UUX
 
 | | Structure of the tryptase inhibitor TdPI from a tick | | Descriptor: | SULFATE ION, TRYPTASE INHIBITOR | | Authors: | Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
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2UUY
 | | Structure of a tick tryptase inhibitor in complex with bovine trypsin | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, CHLORIDE ION, ... | | Authors: | Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
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2VL7
 | | Structure of S. tokodaii Xpd4 | | Descriptor: | PHOSPHATE ION, XPD | | Authors: | Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G. | | Deposit date: | 2008-01-08 | | Release date: | 2008-05-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the DNA Repair Helicase Xpd.
Cell(Cambridge,Mass.), 133, 2008
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2C0X
 | | MOLECULAR STRUCTURE OF FD FILAMENTOUS BACTERIOPHAGE REFINED WITH RESPECT TO X-RAY FIBRE DIFFRACTION AND SOLID-STATE NMR DATA | | Descriptor: | COAT PROTEIN B | | Authors: | Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K. | | Deposit date: | 2005-09-08 | | Release date: | 2005-12-14 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Molecular Structure of Fd (F1, M13) Filamentous Bacteriophage Refined with Respect to X-Ray Fibre Diffraction and Solid-State NMR Data Supports Specific Models of Phage Assembly at the Bacterial Membrane.
J.Mol.Biol., 355, 2006
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5CGQ
 | | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand in the alpha-site and the product L-Tryptophan in the beta-site. | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-07-09 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with F9 ligand and the product L-Tryptophan in the beta-site.
To Be Published
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2UY5
 | | ScCTS1_kinetin crystal structure | | Descriptor: | ENDOCHITINASE, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE | | Authors: | Hurtado-Guerrero, R, van Aalten, D.M.F. | | Deposit date: | 2007-04-02 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
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4EDU
 | | The MBT repeats of human SCML2 in a complex with histone H2A peptide | | Descriptor: | Histone H2A.J peptide, Sex comb on midleg-like protein 2 | | Authors: | Nady, N, Amaya, M.F, Tempel, W, Ravichandran, M, Arrowsmith, C.H. | | Deposit date: | 2012-03-27 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Histone recognition by human malignant brain tumor domains.
J.Mol.Biol., 423, 2012
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5CEI
 | | Crystal structure of CDK8:Cyclin C complex with compound 22 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | | Deposit date: | 2015-07-06 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
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4HN4
 | | Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site | | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ... | | Authors: | Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2012-10-18 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
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2ATX
 | | Crystal Structure of the TC10 GppNHp complex | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, small GTP binding protein TC10 | | Authors: | Hemsath, L, Dvorsky, R, Fiegen, D, Carlier, M.F, Ahmadian, M.R. | | Deposit date: | 2005-08-26 | | Release date: | 2005-09-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | An electrostatic steering mechanism of Cdc42 recognition by Wiskott-Aldrich syndrome proteins
Mol.Cell, 20, 2005
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5CEE
 | | Malic enzyme from Candidatus Phytoplasma AYWB in complex with NAD and Mg2+ | | Descriptor: | MAGNESIUM ION, NAD-dependent malic enzyme, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Alvarez, C.E, Trajtenberg, F, Larrieux, N, Saigo, M, Mussi, M.A, Andreo, C.S, Drincovich, M.F, Buschiazzo, A. | | Deposit date: | 2015-07-06 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | The crystal structure of the malic enzyme from Candidatus Phytoplasma reveals the minimal structural determinants for a malic enzyme.
Acta Crystallogr D Struct Biol, 74, 2018
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2AGS
 | | Trypanosoma rangeli Sialidase in Complex with 2-Keto-3-deoxy-D-glycero-D-galacto-2,3-difluoro-nononic acid (2,3-difluoro-KDN) | | Descriptor: | 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, SULFATE ION, sialidase | | Authors: | Amaya, M.F, Alzari, P.M, Buschiazzo, A. | | Deposit date: | 2005-07-27 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Kinetic Analysis of Two Covalent Sialosyl-Enzyme Intermediates on Trypanosoma rangeli Sialidase.
J.Biol.Chem., 281, 2006
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2BIY
 | | Structure of PDK1-S241A mutant kinase domain | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2005-01-26 | | Release date: | 2005-02-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding.
J. Biol. Chem., 280, 2005
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4HMN
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | | Deposit date: | 2012-10-18 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Bioorg.Med.Chem., 22, 2014
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5AC0
 | | ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-10 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2C07
 | | Oxoacyl-ACP reductase of Plasmodium falciparum | | Descriptor: | 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION | | Authors: | Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F. | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
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5AC1
 | | Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1Z1J
 | | Crystal structure of SARS 3CLpro C145A mutant | | Descriptor: | 3C-like proteinase | | Authors: | Hsu, M.F. | | Deposit date: | 2005-03-04 | | Release date: | 2005-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Understanding the maturation process and inhibitor design of SARS-CoV 3CLpro from the crystal structure of C145A in a product-bound form
J.Biol.Chem., 280, 2005
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2C1I
 | | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | | Deposit date: | 2005-09-15 | | Release date: | 2005-09-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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2BKE
 | | Conformational Flexibility Revealed by the Crystal Structure of a Crenarchaeal RadA | | Descriptor: | CHLORIDE ION, DNA REPAIR AND RECOMBINATION PROTEIN RADA | | Authors: | Ariza, A, Richard, D.L, White, M.F, Bond, C.S. | | Deposit date: | 2005-02-15 | | Release date: | 2005-03-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Conformational Flexibility Revealed by the Crystal Structure of a Crenarchaeal Rada
Nucleic Acids Res., 33, 2005
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2VKI
 | | Structure of the PDK1 PH domain K465E mutant | | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2007-12-19 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance.
Mol.Cell.Biol., 28, 2008
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2VA8
 | | DNA Repair Helicase Hel308 | | Descriptor: | SKI2-TYPE HELICASE, SULFATE ION | | Authors: | Johnson, K.A, Richards, J, Liu, H, McMahon, S, Oke, M, Carter, L, Naismith, J.H, White, M.F. | | Deposit date: | 2007-08-30 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the DNA Repair Helicase Hel308 Reveals DNA Binding and Autoinhibitory Domains.
J.Biol.Chem., 283, 2008
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4HHB
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2C0W
 | | Molecular Structure of fd Filamentous Bacteriophage Refined with Respect to X-ray Fibre Diffraction | | Descriptor: | COAT PROTEIN B | | Authors: | Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K. | | Deposit date: | 2005-09-08 | | Release date: | 2005-12-14 | | Last modified: | 2024-02-14 | | Method: | FIBER DIFFRACTION (3.2 Å) | | Cite: | Molecular Structure of Fd (F1, M13) Filamentous Bacteriophage Refined with Respect to X-Ray Fibre Diffraction and Solid-State NMR Data Supports Specific Models of Phage Assembly at the Bacterial Membrane.
J.Mol.Biol., 355, 2006
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2VEZ
 | | AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ... | | Authors: | Hurtado-Guerrero, R, Raimi, O, Shepherd, S, van Aalten, D.M.F. | | Deposit date: | 2007-10-27 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
FEBS Lett., 581, 2007
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