1RE8
 
 | | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2 | | Descriptor: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE, N-OCTANE, cAMP-dependent protein kinase, ... | | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2003-11-06 | | Release date: | 2004-02-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
|
|
3PI2
 | | Crystallographic Structure of HbII-oxy from Lucina pectinata at pH 8.0 | | Descriptor: | FORMIC ACID, Hemoglobin II, OXYGEN MOLECULE, ... | | Authors: | Gavira, J.A, Nieves-Marrero, C.A, Ruiz-Martinez, C.R, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-09 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | pH-dependence crystallographic studies of the oxygen carrier hemoglobin II from Lucina pectinata
To be Published
|
|
4A8F
 | | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | | Descriptor: | 5'-D(*DAP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
|
|
3B1Y
 | | Crystal structure of an S. thermophilus NFeoB T35A mutant bound to GDP | | Descriptor: | AMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ferrous iron uptake transporter protein B | | Authors: | Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M. | | Deposit date: | 2011-07-15 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
|
|
3HLL
 | | Crystal Structure of Human p38alpha complexed with PH-797804 | | Descriptor: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | | Deposit date: | 2009-05-27 | | Release date: | 2009-07-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009
|
|
4A6V
 | | X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes | | Descriptor: | CARBONATE ION, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE, ... | | Authors: | Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I. | | Deposit date: | 2011-11-09 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes.
Chemmedchem, 7, 2012
|
|
1RTS
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
|
|
7KUC
 | |
3HUH
 | | The structure of biphenyl-2,3-diol 1,2-dioxygenase iii-related protein from salmonella typhimurium | | Descriptor: | Virulence protein STM3117 | | Authors: | Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-14 | | Release date: | 2009-06-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of biphenyl-2,3-diol 1,2-dioxygenase iii-related protein from salmonella typhimurium
To be Published
|
|
3BU1
 | | Crystal structure of monomine-histamine complex | | Descriptor: | HISTAMINE, Lipocalin, SULFATE ION | | Authors: | Mans, B.J, Ribeiro, J.M, Andersen, J.F. | | Deposit date: | 2007-12-31 | | Release date: | 2008-04-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
J.Biol.Chem., 283, 2008
|
|
3HUR
 | | Crystal structure of alanine racemase from Oenococcus oeni | | Descriptor: | Alanine racemase, SULFATE ION | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Hu, S, Romero, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-15 | | Release date: | 2009-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of alanine racemase from Oenococcus oeni
To be Published
|
|
4C9X
 | | Crystal structure of NUDT1 (MTH1) with S-crizotinib | | Descriptor: | 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2013-10-03 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
|
|
7KUB
 | |
4BUL
 | | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
7L5O
 | | Crystal structure of the noncovalently bonded complex of rilzabrutinib with BTK | | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | | Deposit date: | 2020-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
|
|
7L5P
 | | Crystal structure of the covalently bonded complex of rilzabrutinib with BTK | | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | | Deposit date: | 2020-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases
To Be Published
|
|
3PT8
 | | Structure of HbII-III-CN from Lucina pectinata at pH 5.0 | | Descriptor: | CYANIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2010-12-02 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata.
To be Published
|
|
1ROC
 | | Crystal structure of the histone deposition protein Asf1 | | Descriptor: | Anti-silencing protein 1, BROMIDE ION | | Authors: | Daganzo, S.M, Erzberger, J.P, Lam, W.M, Skordalakes, E, Zhang, R, Franco, A.A, Brill, S.J, Adams, P.D, Berger, J.M, Kaufman, P.D. | | Deposit date: | 2003-12-02 | | Release date: | 2003-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and function of the conserved core of histone deposition protein Asf1.
Curr.Biol., 13, 2003
|
|
1N51
 | | Aminopeptidase P in complex with the inhibitor apstatin | | Descriptor: | MANGANESE (II) ION, Xaa-Pro aminopeptidase, apstatin | | Authors: | Graham, S.C, Maher, M.J, Lee, M.H, Simmons, W.H, Freeman, H.C, Guss, J.M. | | Deposit date: | 2002-11-03 | | Release date: | 2003-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Escherichia coli aminopeptidase P in complex with the inhibitor apstatin.
Acta Crystallogr.,Sect.D, 60, 2004
|
|
1ROS
 | | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | | Descriptor: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.
J.Mol.Biol., 341, 2004
|
|
3HYG
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | | Descriptor: | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
J.Biol.Chem., 284, 2009
|
|
4C01
 | | Complete crystal structure of carboxylesterase Cest-2923 (lp_2923) from Lactobacillus plantarum WCFS1 | | Descriptor: | ACETATE ION, ACETONITRILE, CEST-2923, ... | | Authors: | Benavente, R, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M. | | Deposit date: | 2013-07-30 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
|
|
7KUD
 | |
3HYS
 | | Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ... | | Authors: | Johnston, J.M, Baker, E.N. | | Deposit date: | 2009-06-23 | | Release date: | 2010-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
|
|
3C3K
 | | Crystal structure of an uncharacterized protein from Actinobacillus succinogenes | | Descriptor: | Alanine racemase, CHLORIDE ION, GLYCEROL | | Authors: | Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-01-28 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structure of an uncharacterized protein from Actinobacillus succinogenes.
To be Published
|
|
