2WLY
 
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | Deposit date: | 2009-06-29 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chitinase inhibition by chitobiose and chitotriose thiazolines.
Angew. Chem. Int. Ed. Engl., 49, 2010
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2X79
 | | Inward facing conformation of Mhp1 | | Descriptor: | HYDANTOIN TRANSPORT PROTEIN | | Authors: | Shimamura, T, Weyand, S, Beckstein, O, Rutherford, N.G, Hadden, J.M, Sharples, D, Sansom, M.S.P, Iwata, S, Henderson, P.J.F, Cameron, A.D. | | Deposit date: | 2010-02-25 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Molecular Basis of Alternating Access Membrane Transport by the Sodium-Hydantoin Transporter Mhp1.
Science, 328, 2010
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4N69
 | | Soybean Serine Acetyltransferase Complexed with Serine | | Descriptor: | PHOSPHATE ION, SERINE, Serine Acetyltransferase Apoenzyme | | Authors: | Yi, H, Dey, S, Kumaran, S, Krishnan, H.B, Jez, J.M. | | Deposit date: | 2013-10-11 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone.
J.Biol.Chem., 288, 2013
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5JRI
 | | Structure of an oxidoreductase SeMet-labelled from Synechocystis sp. PCC6803 | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase, ... | | Authors: | Buey, R.M, de Pereda, J.M, Balsera, M. | | Deposit date: | 2016-05-06 | | Release date: | 2017-11-15 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2WKS
 | | Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor. | | Descriptor: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE | | Authors: | Otero, J.M, Guardado-Calvo, P, Llamas-Saiz, A.L, Prazeres, V.F.V, Tizon, L, Castedo, L, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2009-06-17 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues.
J. Med. Chem., 53, 2010
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2X1D
 | | The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, ACYL-COENZYME, ... | | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | | Deposit date: | 2009-12-23 | | Release date: | 2010-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
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4NJ7
 | | PB1 Domain of AtARF7 - SeMet Derivative | | Descriptor: | Auxin response factor 7 | | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-03-26 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WNT
 | | Crystal Structure of the Human Ribosomal protein S6 kinase | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, RIBOSOMAL PROTEIN S6 KINASE, ... | | Authors: | Muniz, J.R.C, Elkins, J.M, Wang, J, Ugochukwu, E, Salah, E, King, O, Picaud, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2009-07-20 | | Release date: | 2009-08-25 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Human Ribosomal Protein S6 Kinase
To be Published
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2X8S
 | | Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | | Deposit date: | 2010-03-11 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
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5K8X
 | | Crystal structure of mouse CARM1 in complex with inhibitor U3 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-05-31 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor U3
To Be Published
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4NJ6
 | | PB1 Domain of AtARF7 | | Descriptor: | Auxin response factor 7 | | Authors: | Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C. | | Deposit date: | 2013-11-08 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WO9
 | | MMP12 complex with a beta hydroxy carboxylic acid | | Descriptor: | (3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | | Deposit date: | 2009-07-22 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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2X8F
 | | Native structure of Endo-1,5-alpha-L-arabinanases from Bacillus subtilis | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | de Sanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | | Deposit date: | 2010-03-09 | | Release date: | 2011-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
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4NDZ
 | | Structure of Maltose Binding Protein fusion to 2-O-Sulfotransferase with bound heptasaccharide and PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Maltose-binding periplasmic protein, Heparan sulfate 2-O-sulfotransferase 1 fusion, ... | | Authors: | Liu, C, Sheng, J, Krahn, J.M, Perera, L, Xu, Y, Hsieh, P, Liu, J, Pedersen, L.C. | | Deposit date: | 2013-10-28 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis
To be Published
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2WLO
 | | POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM | | Descriptor: | POTASSIUM CHANNEL, POTASSIUM ION | | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | | Deposit date: | 2009-06-24 | | Release date: | 2010-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4.036 Å) | | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
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2WOA
 | | MMP12 complex with a beta hydroxy carboxylic acid | | Descriptor: | (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | | Deposit date: | 2009-07-22 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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2XIK
 | | Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1) | | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25 | | Authors: | Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
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5K0A
 | | Structure of an oxidoreductase from Synechocystis sp. PCC6803 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Buey, R.M, de Pereda, J.M, Balsera, M. | | Deposit date: | 2016-05-17 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.706 Å) | | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2XB8
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid | | Descriptor: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | | Authors: | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2010-04-08 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Chemmedchem, 5, 2010
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4LV6
 | | Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C | | Descriptor: | 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-07-26 | | Release date: | 2013-11-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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2VAC
 | | Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2 | | Descriptor: | 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION | | Authors: | Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S. | | Deposit date: | 2007-08-30 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2
To be Published
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4M1O
 | | Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-08-03 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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2V3Y
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2VHU
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI12 K241C mutant in complex with ADP and MgCl | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | | Deposit date: | 2007-11-25 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor.
J.Biol.Chem., 283, 2008
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4M1U
 | | The crystal structure of Stx2 and a disaccharide ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-4)-methyl beta-D-galactopyranoside, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 A-subunit, ... | | Authors: | Yin, J, James, M.N.G, Jacobson, J.M, Kitov, P.I, Bundle, D.R, Mulvey, G, Armstrong, G. | | Deposit date: | 2013-08-04 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The crystal structure of shiga toxin type 2 with bound disaccharide guides the design of a heterobifunctional toxin inhibitor.
J.Biol.Chem., 289, 2014
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