6FHO
 
 | | Crystal structure of pqsL, a probable FAD-dependent monooxygenase from Pseudomonas aeruginosa - new refinement | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable FAD-dependent monooxygenase | | Authors: | Belviso, B.D, Drees, S.L, Ernst, S, Jagmann, N, Hennecke, U, Fetzner, S. | | Deposit date: | 2018-01-15 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PqsL uses reduced flavin to produce 2-hydroxylaminobenzoylacetate, a preferred PqsBC substrate in alkyl quinolone biosynthesis inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
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6FQE
 | | Phosphotriesterase PTE_A53_4 | | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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6CVM
 | | Atomic resolution cryo-EM structure of beta-galactosidase | | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ... | | Authors: | Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S. | | Deposit date: | 2018-03-28 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
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6G1J
 | | Phosphotriesterase PTE_C23M_1 | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-03-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phosphotriesterase
PTE_C23M_1
To Be Published
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6FWE
 | | Phosphotriesterase PTE_C23_6 | | Descriptor: | 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.774 Å) | | Cite: | Phosphotriesterase
PTE_C23_6
To Be Published
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6FRZ
 | | Phosphotriesterase PTE_A53_7 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-18 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Phosphotriesterase
PTE_A53_7
To Be Published
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6NTE
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6FU6
 | | Phosphotriesterase PTE_C23_2 | | Descriptor: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-26 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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6G3M
 | | Phosphotriesterase PTE_C23M_4 | | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-03-26 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Phosphotriesterase
PTE_C23M_4
To Be Published
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6D9Z
 | | Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans | | Descriptor: | Sulfate transporter CysZ, octyl beta-D-glucopyranoside | | Authors: | Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-30 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4021318 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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6FYH
 | | Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1 | | Descriptor: | E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ... | | Authors: | Jaeckl, M, Hartmann, M.D, Wiesner, S. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.906 Å) | | Cite: | beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation.
J. Mol. Biol., 430, 2018
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5UI1
 | | Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor | | Descriptor: | 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | | Authors: | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
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1SVN
 | | SAVINASE | | Descriptor: | CALCIUM ION, SAVINASE (TM) | | Authors: | Betzel, C, Klupsch, S, Papendorf, G, Hastrup, S, Branner, S, Wilson, K.S. | | Deposit date: | 1995-09-01 | | Release date: | 1996-10-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the alkaline proteinase Savinase from Bacillus lentus at 1.4 A resolution.
J.Mol.Biol., 223, 1992
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6D79
 | | Structure of CysZ, a sulfate permease from Pseudomonas Fragi | | Descriptor: | Sulfate transporter CysZ | | Authors: | Sanghai, Z.A, Liu, Q, Clarke, O.B, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-24 | | Release date: | 2018-05-16 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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3ZYT
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6FX4
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1TK2
 | | Crystal Structure of the Complex formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution | | Descriptor: | CALCIUM ION, GRAMICIDIN S, SUBTILISIN SAVINASE | | Authors: | Bhatt, V.S, Kaur, P, Klupsch, S, Betzel, C, Brenner, S, Singh, T.P. | | Deposit date: | 2004-06-08 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal Structure of the Complex Formed between Alkaline Proteinase Savinase and Gramicidin S at 1.5A Resolution.
To be Published
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6E8C
 | | Crystal structure of the double homeodomain of DUX4 in complex with DNA | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), Double homeobox protein 4 | | Authors: | Lee, J.K, Bosnakovski, D, Toso, E.A, Dinh, T, Banerjee, S, Bohl, T.E, Shi, K, Kurahashi, K, Kyba, M, Aihara, H. | | Deposit date: | 2018-07-27 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA.
Cell Rep, 25, 2018
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2VA7
 | | X-ray crystal structure of beta secretase complexed with compound 27 | | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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2C7N
 | | Human Rabex-5 residues 1-74 in complex with Ubiquitin | | Descriptor: | RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION | | Authors: | Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R. | | Deposit date: | 2005-11-25 | | Release date: | 2006-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Ubiquitin Binding Domains of Rabex-5 Reveals Two Modes of Interaction with Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
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2VA5
 | | X-ray crystal structure of beta secretase complexed with compound 8c | | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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6FS3
 | | Phosphotriesterase PTE_A53_1 | | Descriptor: | (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-19 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution
To Be Published
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2B5B
 | | A reptilian defensin with anti-bacterial and anti-viral activity | | Descriptor: | Defensin | | Authors: | Chattopadhyay, S, Sinha, N.K, Banerjee, S, Roy, D, Chattopadhyay, D, Roy, S. | | Deposit date: | 2005-09-28 | | Release date: | 2006-06-27 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Small cationic protein from a marine turtle has beta-defensin-like fold and antibacterial and antiviral activity.
Proteins, 64, 2006
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1EKZ
 | | NMR STRUCTURE OF THE COMPLEX BETWEEN THE THIRD DSRBD FROM DROSOPHILA STAUFEN AND A RNA HAIRPIN | | Descriptor: | MATERNAL EFFECT PROTEIN (STAUFEN), STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN | | Authors: | Ramos, A, Grunert, S, Bycroft, M, St Johnston, D, Varani, G. | | Deposit date: | 2000-03-11 | | Release date: | 2000-08-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | RNA recognition by a Staufen double-stranded RNA-binding domain.
EMBO J., 19, 2000
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2VA6
 | | X-ray crystal structure of beta secretase complexed with compound 24 | | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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