1RE8
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![BU of 1re8 by Molmil](/molmil-images/mine/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
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3PI2
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![BU of 3pi2 by Molmil](/molmil-images/mine/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
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4A8F
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![BU of 4a8f by Molmil](/molmil-images/mine/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
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3B1Y
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![BU of 3b1y by Molmil](/molmil-images/mine/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
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4A6V
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![BU of 4a6v by Molmil](/molmil-images/mine/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
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3HLL
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![BU of 3hll by Molmil](/molmil-images/mine/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
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1RTS
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![BU of 1rts by Molmil](/molmil-images/mine/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
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7KUC
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3HUH
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![BU of 3huh by Molmil](/molmil-images/mine/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
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3BU1
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![BU of 3bu1 by Molmil](/molmil-images/mine/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
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3HUR
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![BU of 3hur by Molmil](/molmil-images/mine/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
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4C9X
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![BU of 4c9x by Molmil](/molmil-images/mine/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
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7KUB
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4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/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
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7L5O
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![BU of 7l5o by Molmil](/molmil-images/mine/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
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7L5P
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![BU of 7l5p by Molmil](/molmil-images/mine/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
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3PT8
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![BU of 3pt8 by Molmil](/molmil-images/mine/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
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1ROC
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![BU of 1roc by Molmil](/molmil-images/mine/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
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1N51
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![BU of 1n51 by Molmil](/molmil-images/mine/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
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1ROS
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![BU of 1ros by Molmil](/molmil-images/mine/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
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3HYG
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![BU of 3hyg by Molmil](/molmil-images/mine/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
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4C01
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![BU of 4c01 by Molmil](/molmil-images/mine/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
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7KUD
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![BU of 7kud by Molmil](/molmil-images/mine/7kud) | |
3HYS
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![BU of 3hys by Molmil](/molmil-images/mine/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
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3C3K
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![BU of 3c3k by Molmil](/molmil-images/mine/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
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