1S5Q
 
 | | Solution Structure of Mad1 SID-mSin3A PAH2 Complex | | Descriptor: | MAD protein, Sin3a protein | | Authors: | Swanson, K.A, Knoepfler, P.S, Huang, K, Kang, R.S, Cowley, S.M, Laherty, C.D, Eisenman, R.N, Radhakrishnan, I. | | Deposit date: | 2004-01-21 | | Release date: | 2004-07-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | HBP1 and Mad1 repressors bind the Sin3 corepressor PAH2 domain with opposite helical orientations.
Nat.Struct.Mol.Biol., 11, 2004
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6GK6
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1W6R
 | | Complex of TcAChE with galanthamine derivative | | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | | Deposit date: | 2004-08-23 | | Release date: | 2004-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
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5LW6
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8BRI
 | | VaPomAB MSP1D1 nanodisc | | Descriptor: | Chemotaxis protein PomA, Flagellar motor protein | | Authors: | Hu, H, Taylor, N.M.I. | | Deposit date: | 2022-11-23 | | Release date: | 2023-06-14 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ion selectivity and rotor coupling of the Vibrio flagellar sodium-driven stator unit.
Nat Commun, 14, 2023
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5LCY
 | | Formaldehyde-Responsive Regulator FrmR E64H variant from Salmonella enterica serovar Typhimurium | | Descriptor: | Frmr | | Authors: | Pohl, E, Robinson, N, Osman, D, Piergentili, C, Uson, I. | | Deposit date: | 2016-06-22 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The Effectors and Sensory Sites of Formaldehyde-responsive Regulator FrmR and Metal-sensing Variant.
J.Biol.Chem., 291, 2016
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6B0N
 | | Crystal structure of the cleavage-independent prefusion HIV Env glycoprotein trimer of the clade A BG505 isolate (NFL construct) in complex with Fabs PGT122 and PGV19 at 3.39 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp140, ... | | Authors: | Sarkar, A, Irimia, A, Wilson, I.A. | | Deposit date: | 2017-09-14 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of a cleavage-independent HIV Env recapitulates the glycoprotein architecture of the native cleaved trimer.
Nat Commun, 9, 2018
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1W75
 | | Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Greenblatt, H.M, Botti, S, Argaman, A, Silman, I, Sussman, J.L. | | Deposit date: | 2004-08-29 | | Release date: | 2004-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.
J.Am.Chem.Soc., 126, 2004
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8BI4
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4JHX
 | | Crystal structure of anabolic ornithine carbamoyltransferase from Vibrio vulnificus in complex with carbamoylphosphate and arginine | | Descriptor: | ARGININE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shabalin, I.G, Bacal, P, Winsor, J, Grimshaw, S, Grabowski, M, Chordia, M.D, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-05 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis
To be Published
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2XNU
 | | Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | | Descriptor: | 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | | Deposit date: | 2010-08-06 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors.
Bioorg.Med.Chem., 19, 2011
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8BJA
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3HVU
 | | 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase from Bacillus anthracis with 2-(N-morpholino)ethanesulfonic acid (MES) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hypoxanthine phosphoribosyltransferase, SODIUM ION | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-06-16 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Crystal Structure of Complex of Hypoxanthine-Guanine Phosphoribosyltransferase from Bacillus anthracis with 2-(N-morpholino)ethanesulfonic acid (MES)
TO BE PUBLISHED
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3QQO
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2XPC
 | | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | | Descriptor: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | | Deposit date: | 2010-08-26 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
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6GYG
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3I6A
 | | Human GST A1-1 GIMF mutant with Glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1 | | Authors: | Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M. | | Deposit date: | 2009-07-06 | | Release date: | 2009-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
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6HAR
 | | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
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5WBD
 | | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A | | Descriptor: | ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper | | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2017-06-28 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
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3QKK
 | | Spirochromane Akt Inhibitors | | Descriptor: | GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3A24
 | | Crystal structure of BT1871 retaining glycosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, alpha-galactosidase | | Authors: | Okuyama, M, Kitamura, M, Hondoh, H, Tanaka, I, Yao, M. | | Deposit date: | 2009-04-28 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Catalytic mechanism of retaining alpha-galactosidase belonging to glycoside hydrolase family 97.
J.Mol.Biol., 392, 2009
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4L27
 | | Crystal structure of delta1-39 and delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | | Deposit date: | 2013-06-04 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.391 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KZW
 | | Structure of the carbohydrate-recognition domain of the C-type lectin mincle | | Descriptor: | C-TYPE LECTIN MINCLE, CALCIUM ION, CITRATE ANION, ... | | Authors: | Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K. | | Deposit date: | 2013-05-30 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle.
J.Biol.Chem., 288, 2013
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4L3V
 | | Crystal structure of delta516-525 human cystathionine beta-synthase | | Descriptor: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | | Deposit date: | 2013-06-07 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.628 Å) | | Cite: | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6HXA
 | | AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones | | Descriptor: | AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | | Authors: | Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H. | | Deposit date: | 2018-10-16 | | Release date: | 2019-08-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens.
Chem Sci, 10, 2019
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