1I6V
 
 | | THERMUS AQUATICUS CORE RNA POLYMERASE-RIFAMPICIN COMPLEX | | Descriptor: | DNA-DIRECTED RNA POLYMERASE, MAGNESIUM ION, RIFAMPICIN, ... | | Authors: | Campbell, E.A, Korzheva, N, Mustaev, A, Murakami, K, Goldfarb, A, Darst, S.A. | | Deposit date: | 2001-03-05 | | Release date: | 2001-04-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural mechanism for rifampicin inhibition of bacterial rna polymerase.
Cell(Cambridge,Mass.), 104, 2001
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5M0D
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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8TG6
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8OME
 | | Crystal structure of hKHK-A in complex with compound-4 | | Descriptor: | Ketohexokinase, compound | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2023-03-31 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
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3MVG
 | | Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A | | Descriptor: | GLYCEROL, Ribosome inactivating type 1 protein, SULFATE ION | | Authors: | Meyer, A, Weber, W, Singh, T.P, Betzel, C. | | Deposit date: | 2010-05-04 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Native structure of IRIP, a type I ribosome inactivating protein from Iris hollandica var. at 1.25 A
to be published
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8TRG
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8OMD
 | | Crystal structure of mKHK in complex with compound-4 | | Descriptor: | Ketohexokinase, compound | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2023-03-31 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
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5LSJ
 | | CRYSTAL STRUCTURE OF THE HUMAN KINETOCHORE MIS12-CENP-C delta-HEAD2 COMPLEX | | Descriptor: | Centromere protein C, Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, ... | | Authors: | Vetter, I.R, Petrovic, A, Keller, J, Liu, Y. | | Deposit date: | 2016-09-02 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
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8OMF
 | | Crystal structure of hKHK-C in complex with compound-4 | | Descriptor: | Ketohexokinase, SULFATE ION, compound | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2023-03-31 | | Release date: | 2023-09-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
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8T84
 | | Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40 | | Authors: | Sawaya, M.R, Raskatov, J.A, Hazari, A. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
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8U36
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4CNN
 | | High resolution structure of Salmonella typhi type I dehydroquinase | | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
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5LRK
 | | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex | | Descriptor: | Anabaenopeptin F, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-08-19 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
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1S9J
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-11-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Nat.Struct.Mol.Biol., 11, 2004
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8T86
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4CSH
 | | Native structure of the lytic CHAPK domain of the endolysin LysK from Staphylococcus aureus bacteriophage K | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Sanz-Gaitero, M, Keary, R, Garcia-Doval, C, Coffey, A, van Raaij, M.J. | | Deposit date: | 2014-03-07 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the lytic CHAP(K) domain of the endolysin LysK from Staphylococcus aureus bacteriophage K.
Virol. J., 11, 2014
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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1SOK
 | | Crystal structure of the transthyretin mutant A108Y/L110E solved in space group p21212 | | Descriptor: | Transthyretin | | Authors: | Hornberg, A, Olofsson, A, Eneqvist, T, Lundgren, E, Sauer-Eriksson, A.E. | | Deposit date: | 2004-03-15 | | Release date: | 2004-07-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The beta-strand D of transthyretin trapped in two discrete conformations
Biochim.Biophys.Acta, 1700, 2004
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2014-01-07 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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1IZJ
 | | Thermoactinomyces vulgaris R-47 alpha-amylase 1 mutant enzyme f313a | | Descriptor: | CALCIUM ION, amylase | | Authors: | Ohtaki, A, Iguchi, A, Mizuno, M, Tonozuka, T, Sakano, Y, Kamitori, S. | | Deposit date: | 2002-10-03 | | Release date: | 2003-07-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutual conversion of substrate specificities of Thermoactinomyces vulgaris R-47 alpha-amylases TVAI and TVAII by site-directed mutagenesis
CARBOHYDR.RES., 338, 2003
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8T82
 | | Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid | | Descriptor: | amyloid beta segment 35-MVGGVV-40, racemic mixture, pentafluoropropanoic acid | | Authors: | Sawaya, M.R, Raskatov, J.A, Hazari, A. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
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8T89
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1SIO
 | | Structure of Kumamolisin-As complexed with a covalently-bound inhibitor, AcIPF | | Descriptor: | Ace-ILE-PRO-PHL peptide inhibitor, CALCIUM ION, SULFATE ION, ... | | Authors: | Li, M, Wlodawer, A, Gustchina, A, Tsuruoka, N, Ashida, M, Minakata, H, Oyama, H, Oda, K, Nishino, T, Nakayama, T. | | Deposit date: | 2004-03-01 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic and biochemical investigations of kumamolisin-As, a serine-carboxyl peptidase with collagenase activity
J.Biol.Chem., 279, 2004
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4CLM
 | | Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative | | Descriptor: | (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Maneiro, M, Lence, E, Poza, S, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.
Org. Biomol. Chem., 13, 2015
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5LO9
 | | Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ... | | Authors: | Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | | Deposit date: | 2016-08-08 | | Release date: | 2016-10-12 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
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