4C2Z
 
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound | | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W. | | Deposit date: | 2013-08-20 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Chemical Proteomics Defines the Mammalian N- Myristoylated Proteome in Live Cells Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
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4OTK
 | | A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form | | Descriptor: | CHLORIDE ION, MALONATE ION, Mycobacterial Enzyme Rv2971 | | Authors: | Shahine, A, Beddoe, T. | | Deposit date: | 2014-02-13 | | Release date: | 2014-05-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form
Acta Crystallogr.,Sect.F, 70, 2014
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3KP3
 | | Staphylococcus epidermidis in complex with ampicillin | | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, Transcriptional regulator TcaR | | Authors: | Chang, Y.M, Chen, C.K, Wang, A.H. | | Deposit date: | 2009-11-15 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural study of TcaR and its complexes with multiple antibiotics from Staphylococcus epidermidis.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4BTW
 | | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
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3KPM
 | | Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope | | Descriptor: | Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ... | | Authors: | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | | Deposit date: | 2009-11-16 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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4O6S
 | | 1.32A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, Zinc Bound) | | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | | Deposit date: | 2013-12-23 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa.
Biochemistry, 53, 2014
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4O93
 | | Crystal structure of Thermus thermophilis transhydrogeanse domain II dimer | | Descriptor: | MERCURY (II) ION, NAD(P) transhydrogenase subunit alpha 2, NAD(P) transhydrogenase subunit beta | | Authors: | Leung, J.H, Yamaguchi, M, Moeller, A, Schurig-Briccio, L.A, Gennis, R.B, Potter, C.S, Carragher, B, Stout, C.D. | | Deposit date: | 2013-12-31 | | Release date: | 2014-12-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer.
Science, 347, 2015
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4BZA
 | | Crystal structure of TamA POTRA domains 1-3 from E. coli | | Descriptor: | 1,2-ETHANEDIOL, TRANSLOCATION AND ASSEMBLY MODULE TAMA | | Authors: | Jakob, R.P, Gruss, F, Zaehringer, F, Burmann, B.M, Hiller, S, Maier, T. | | Deposit date: | 2013-07-24 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | The Structural Basis of Autotransporter Translocation by Tama
Nat.Struct.Mol.Biol., 20, 2013
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4FS6
 | | Crystal structure of the Z-DNA hexamer CGCGCG at 500 mM CaCl2 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3') | | Authors: | Chatake, T, Sunami, T. | | Deposit date: | 2012-06-27 | | Release date: | 2013-05-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Direct interactions between Z-DNA and alkaline earth cations, discovered in the presence of high concentrations of MgCl2 and CaCl2
J.Inorg.Biochem., 124, 2013
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4BQ1
 | | Crystal structure of of LamAcat from Zobellia galactanivorans | | Descriptor: | CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ... | | Authors: | Labourel, A, Jam, M, Jeudy, A, Michel, G, Czjzek, M. | | Deposit date: | 2013-05-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Beta Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin
J.Biol.Chem., 289, 2014
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3KXG
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64) | | Descriptor: | 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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4FXE
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4FZ1
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4CFS
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE | | Descriptor: | 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, D(-)-TARTARIC ACID, ... | | Authors: | Bui, S, Steiner, R.A. | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-04 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Origin of the Proton-Transfer Step in the Cofactor-Free 1-H-3-Hydroxy-4-Oxoquinaldine 2,4- Dioxygenase: Effect of the Basicity of an Active Site His Residue.
J.Biol.Chem., 289, 2014
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3L0S
 | | Crystal structures of Zinc, Cobalt and Iron containing Adenylate kinase from Gram-negative bacteria Desulfovibrio gigas | | Descriptor: | Adenylate kinase, COBALT (II) ION, D(-)-TARTARIC ACID | | Authors: | Mukhopadhyay, A, Trincao, J, Romao, M.J. | | Deposit date: | 2009-12-10 | | Release date: | 2010-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria
J.Biol.Inorg.Chem., 16, 2011
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4FZ0
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3L0G
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4G0H
 | | Crystal structure of the N-terminal domain of Helicobacter pylori CagA protein | | Descriptor: | Cytotoxicity-associated immunodominant antigen | | Authors: | Kaplan-Turkoz, B, Remaut, H, Dian, C, Louche, A, Terradot, L. | | Deposit date: | 2012-07-09 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural insights into Helicobacter pylori oncoprotein CagA interaction with beta 1 integrin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4G3W
 | | Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | | Descriptor: | Transcriptional regulator nlh1 | | Authors: | Batchelor, J.D, Wang, A, Lee, P, Doucleff, M, Wemmer, D.E. | | Deposit date: | 2012-07-15 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus
J.Mol.Biol., 425, 2013
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4CDF
 | | Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide | | Descriptor: | (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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3LKL
 | | Crystal structure of the C-terminal domain of Anti-Sigma factor antagonist STAS from Rhodobacter sphaeroides | | Descriptor: | Antisigma-factor antagonist STAS | | Authors: | Nocek, B, Marshall, N, Davidoff, J, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-27 | | Release date: | 2010-03-09 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the C-terminal domain of Anti-Sigma factor antagonist STAS from Rhodobacter sphaeroides
To be Published
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4ORS
 | | Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | Descriptor: | Prostaglandin-H2 D-isomerase, SULFATE ION | | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | Deposit date: | 2014-02-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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3LKR
 | | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | | Deposit date: | 2010-01-27 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4OTF
 | | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Hymowitz, S.G, Maurer, B. | | Deposit date: | 2014-02-13 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
Bioorg.Med.Chem.Lett., 25, 2015
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4BVE
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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