3QVM
| The structure of olei00960, a hydrolase from Oleispira antarctica | Descriptor: | CALCIUM ION, CHLORIDE ION, Olei00960, ... | Authors: | Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-25 | Release date: | 2011-04-13 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
|
|
2Q1J
| The discovery of glycine and related amino acid-based factor xa inhibitors | Descriptor: | 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ... | Authors: | Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors BIOORG.MED.CHEM., 14, 2006
|
|
3LQY
| Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica | Descriptor: | GLYCEROL, putative isochorismatase hydrolase | Authors: | Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-10 | Release date: | 2010-03-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica. J.Struct.Funct.Genom., 13, 2012
|
|
5I2R
| human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | Descriptor: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Joseph, C, Koerner, M, Rudolph, M.G. | Deposit date: | 2016-02-09 | Release date: | 2016-03-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
5MRA
| human SCBD (sorcin calcium binding domain) in complex with doxorubicin | Descriptor: | DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ... | Authors: | Ilari, A, Fiorillo, A, Colotti, G, Genovese, I. | Deposit date: | 2016-12-22 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells. Cell Death Dis, 8, 2017
|
|
5KOD
| Crystal Structure of GH3.5 Acyl Acid Amido Synthetase from Arabidopsis thaliana | Descriptor: | 1H-INDOL-3-YLACETIC ACID, ADENOSINE MONOPHOSPHATE, Indole-3-acetic acid-amido synthetase GH3.5, ... | Authors: | Jez, J.M, Westfall, C.S, Zubieta, C. | Deposit date: | 2016-06-30 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Arabidopsis thaliana GH3.5 acyl acid amido synthetase mediates metabolic crosstalk in auxin and salicylic acid homeostasis. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
6ENJ
| |
6RNU
| BCL-XL in a complex with a covalent small molecule inhibitor | Descriptor: | 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1 | Authors: | Hargreaves, D. | Deposit date: | 2019-05-09 | Release date: | 2019-10-02 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and optimization of covalent Bcl-xL antagonists. Bioorg.Med.Chem.Lett., 29, 2019
|
|
1PJV
| Cobatoxin 1 from Centruroides noxius Scorpion venom: Chemical Synthesis, 3-D Structure in Solution, Pharmacology and Docking on K+ channels | Descriptor: | Cobatoxin 1 | Authors: | Mosbah, A, Jouirou, B, Visan, V, Grissmer, S, El Ayeb, M, Rochat, H, De Waard, M, Mabrouk, K, Sabatier, J.M. | Deposit date: | 2003-06-03 | Release date: | 2004-03-09 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Cobatoxin 1 from Centruroides noxius scorpion venom: chemical synthesis, three-dimensional structure in solution, pharmacology and docking on K+ channels. Biochem.J., 377, 2004
|
|
6FBJ
| monoclonal antibody targeting Matrix metalloproteinase 7 | Descriptor: | Heavy Chain, Light chain | Authors: | Dym, O. | Deposit date: | 2017-12-19 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel monoclonal antibody targeting Matrix metalloproteinase 7 shows therapeutic potential against pancreatic cancer To Be Published
|
|
6TCZ
| Leishmania tarentolae proteasome 20S subunit complexed with LXE408 | Descriptor: | Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ... | Authors: | Srinivas, H. | Deposit date: | 2019-11-07 | Release date: | 2020-08-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
|
|
6TD5
| Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Srinivas, H. | Deposit date: | 2019-11-07 | Release date: | 2020-08-26 | Last modified: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
|
|
6G1F
| |
1CX5
| ANTISENSE DNA/RNA HYBRID CONTAINING MODIFIED BACKBONE | Descriptor: | 5'-D(*CP*GP*CP*GP*TP*T*(MMT)P*TP*GP*CP*GP*C), 5'-R(*GP*CP*GP*CP*AP*AP*AP*AP*CP*GP*CP*G) | Authors: | Yang, X, Han, X, Cross, C, Sanghvi, Y, Gao, X. | Deposit date: | 1999-08-28 | Release date: | 1999-09-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of an antisense DNA.RNA hybrid duplex containing a 3'-CH(2)N(CH(3))-O-5' or an MMI backbone linker. Biochemistry, 38, 1999
|
|
4EPH
| CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor | Descriptor: | 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | Deposit date: | 2012-04-17 | Release date: | 2013-04-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein. FEBS Open Bio, 3, 2013
|
|
4EP9
| CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX WITH CoA-site inhibitor | Descriptor: | 4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | Deposit date: | 2012-04-17 | Release date: | 2013-04-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein. FEBS Open Bio, 3, 2013
|
|
5COF
| Crystal structure of Uncharacterised protein Q1R1X2 from Escherichia coli UTI89 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Taylor, J.D, Hare, S, Matthews, S.J. | Deposit date: | 2015-07-20 | Release date: | 2016-02-03 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide. J.Mol.Biol., 428, 2016
|
|
1DXM
| Reduced form of the H protein from glycine decarboxylase complex | Descriptor: | DIHYDROLIPOIC ACID, H PROTEIN | Authors: | Faure, M, Cohen-Addad, C, Neuburger, M, Douce, R. | Deposit date: | 2000-01-10 | Release date: | 2000-07-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins Eur.J.Biochem., 267, 2000
|
|
1RP5
| PBP2x from Streptococcus pneumoniae strain 5259 with reduced susceptibility to beta-lactam antibiotics | Descriptor: | SULFATE ION, penicillin-binding protein 2x | Authors: | Pernot, L, Chesnel, L, Legouellec, A, Croize, J, Vernet, T, Dideberg, O, Dessen, A. | Deposit date: | 2003-12-03 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A PBP2x from a clinical isolate of Streptococcus pneumoniae exhibits an alternative mechanism for reduction of susceptibility to beta-lactam antibiotics. J.Biol.Chem., 279, 2004
|
|
4WL0
| |
5CQV
| Crystal structure of uncharacterized protein Q8DWV2 from Streptococcus agalactiae | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Uncharacterized protein | Authors: | Taylor, J.D, Hare, S, Matthews, S.J. | Deposit date: | 2015-07-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide. J.Mol.Biol., 428, 2016
|
|
1VST
| Symmetric Sulfolobus solfataricus uracil phosphoribosyltransferase with bound PRPP and GTP | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kadziola, A. | Deposit date: | 2009-02-09 | Release date: | 2009-09-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and kinetic studies of the allosteric transition in Sulfolobus solfataricus uracil phosphoribosyltransferase: Permanent activation by engineering of the C-terminus J.Mol.Biol., 393, 2009
|
|
5EDC
| |
5EZZ
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | Descriptor: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|
5F03
| TRYPTASE B2 IN COMPLEX WITH 5-(3-Aminomethyl-phenoxymethyl)-3-[3-(2-chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid | Descriptor: | (5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one, Tryptase beta-2 | Authors: | Banner, D, Benz, J, Joseph, C, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
|
|