1O8Z
 
 | | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, cis-trans-trans conformer (ct-A) | | Descriptor: | CYCLIC TRYPSIN INHIBITOR | | Authors: | Marx, U.C, Craik, D.J. | | Deposit date: | 2002-12-09 | | Release date: | 2003-03-13 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide
J.Biol.Chem., 278, 2003
|
|
2AXE
 | | IODINATED COMPLEX OF ACETYL XYLAN ESTERASE AT 1.80 ANGSTROMS | | Descriptor: | ACETYL XYLAN ESTERASE, SULFATE ION | | Authors: | Ghosh, D, Erman, M, Sawicki, M.W, Lala, P, Weeks, D.R, Li, N, Pangborn, W, Thiel, D.J, Jornvall, H, Eyzaguirre, J. | | Deposit date: | 1998-09-01 | | Release date: | 1999-05-18 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Determination of a protein structure by iodination: the structure of iodinated acetylxylan esterase.
Acta Crystallogr.,Sect.D, 55, 1999
|
|
1OEY
 | | Heterodimer of p40phox and p67phox PB1 domains from human NADPH oxidase | | Descriptor: | NEUTROPHIL CYTOSOL FACTOR 2, NEUTROPHIL CYTOSOL FACTOR 4 | | Authors: | Wilson, M.I, Gill, D.J, Perisic, O, Quinn, M.T, Williams, R.L. | | Deposit date: | 2003-04-02 | | Release date: | 2003-07-29 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pb1 Domain-Mediated Heterodimerization in Nadph Oxidase and Signaling Complexes of Atypical Protein Kinase C with Par6 and P62
Mol.Cell, 12, 2003
|
|
2B4Q
 | | Pseudomonas aeruginosa RhlG/NADP active-site complex | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase | | Authors: | Miller, D.J, White, S.W. | | Deposit date: | 2005-09-26 | | Release date: | 2006-05-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of RhlG, an Essential beta-Ketoacyl Reductase in the Rhamnolipid Biosynthetic Pathway of Pseudomonas aeruginosa.
J.Biol.Chem., 281, 2006
|
|
1NP0
 | | Human lysosomal beta-hexosaminidase isoform B in complex with intermediate analogue NAG-thiazoline | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit beta, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
|
|
2ATG
 | | NMR structure of Retrocyclin-2 in SDS | | Descriptor: | Retrocyclin-2 | | Authors: | Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J. | | Deposit date: | 2005-08-24 | | Release date: | 2005-09-06 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin
Biochemistry, 46, 2007
|
|
1NTA
 | | 2.9 A crystal structure of Streptomycin RNA-aptamer | | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', BARIUM ION, ... | | Authors: | Tereshko, V, Skripkin, E, Patel, D.J. | | Deposit date: | 2003-01-29 | | Release date: | 2003-05-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Encapsulating Streptomycin within a small 40-mer RNA
CHEM.BIOL., 10, 2003
|
|
2AHX
 | | Crystal structure of ErbB4/HER4 extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4, SULFATE ION, ... | | Authors: | Bouyain, S, Longo, P.A, Li, S, Ferguson, K.M, Leahy, D.J. | | Deposit date: | 2005-07-28 | | Release date: | 2005-09-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | The extracellular region of ErbB4 adopts a tethered conformation in the absence of ligand
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1O8Y
 | | Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, trans-trans-trans conformer (tt-A) | | Descriptor: | CYCLIC TRYPSIN INHIBITOR | | Authors: | Marx, U.C, Craik, D.J. | | Deposit date: | 2002-12-09 | | Release date: | 2003-03-13 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide
J.Biol.Chem., 278, 2003
|
|
5W93
 | | p130Cas complex with paxillin LD1 | | Descriptor: | Breast cancer anti-estrogen resistance protein 1, Paxillin | | Authors: | Miller, D.J, Zheng, J.J. | | Deposit date: | 2017-06-22 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural and functional insights into the interaction between the Cas family scaffolding protein p130Cas and the focal adhesion-associated protein paxillin.
J. Biol. Chem., 292, 2017
|
|
2AQ7
 | | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
|
|
2AQY
 | |
2C1X
 | | Structure and activity of a flavonoid 3-O glucosyltransferase reveals the basis for plant natural product modification | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UDP-GLUCOSE FLAVONOID 3-O GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Offen, W, Martinez-Fleites, C, Kiat-Lim, E, Yang, M, Davis, B.G, Tarling, C.A, Ford, C.M, Bowles, D.J, Davies, G.J. | | Deposit date: | 2005-09-22 | | Release date: | 2006-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification.
Embo J., 25, 2006
|
|
2BGD
 | | Structure-based design of Protein Tyrosine Phosphatase-1B Inhibitors | | Descriptor: | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Black, E, Breed, J, Breeze, A.L, Embrey, K, Garcia, R, Gero, T.W, Godfrey, L, Kenny, P.W, Morley, A.D, Minshull, C.A, Pannifer, A.D, Read, J, Rees, A, Russell, D.J, Toader, D, Tucker, J. | | Deposit date: | 2004-12-21 | | Release date: | 2005-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
|
|
1NZ0
 | | RNASE P PROTEIN FROM THERMOTOGA MARITIMA | | Descriptor: | Ribonuclease P protein component, SULFATE ION | | Authors: | Kazantsev, A.V, Krivenko, A.A, Harrington, D.J, Carter, R.J, Holbrook, S.R, Adams, P.D, Pace, N.R, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2003-02-14 | | Release date: | 2003-06-24 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution structure of RNase P protein from Thermotoga maritima.
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
5U31
 | | Crystal structure of AacC2c1-sgRNA-8mer substrate DNA ternary complex | | Descriptor: | CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ... | | Authors: | Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J. | | Deposit date: | 2016-12-01 | | Release date: | 2017-01-25 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease.
Cell, 167, 2016
|
|
2AU0
 | | Unmodified preinsertion binary complex | | Descriptor: | 5'-D(*CP*TP*AP*AP*CP*G*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', CALCIUM ION, ... | | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2005-08-26 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion
Plos Biol., 4, 2006
|
|
2AYR
 | | A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats | | Descriptor: | 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor | | Authors: | Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A. | | Deposit date: | 2005-09-07 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats
J.Med.Chem., 48, 2005
|
|
5J5S
 | | Src kinase in complex with a sulfonamide inhibitor | | Descriptor: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | | Deposit date: | 2016-04-03 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
To Be Published
|
|
5V8E
 | | Structure of Bacillus cereus PatB1 | | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
|
|
8CVN
 | | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
|
|
2CB4
 | | Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus sphaericus, mutant E197Q | | Descriptor: | MOSQUITOCIDAL TOXIN | | Authors: | Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2005-12-29 | | Release date: | 2006-02-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Mosquitocidal Toxin from Bacillus Sphaericus.
J.Mol.Biol., 357, 2006
|
|
5VH2
 | |
5LJO
 | | E. coli BAM complex (BamABCDE) by cryoEM | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | | Deposit date: | 2016-07-19 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
|
|
8CWL
 | | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
|
|
