3VHA
 
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
|
|
3RP6
 | | Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase | | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | | Deposit date: | 2011-04-26 | | Release date: | 2012-05-16 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013
|
|
3VHC
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | Descriptor: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
|
|
3TA9
 | | beta-Glucosidase A from the halothermophile H. orenii | | Descriptor: | Glycoside hydrolase family 1, NICKEL (II) ION | | Authors: | Hofmann, A, Wang, C.K, Kori, L.D, Patel, B.K. | | Deposit date: | 2011-08-03 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Expression, purification and preliminary crystallographic analysis of the recombinant (beta)-glucosidase (BglA) from the halothermophile Halothermothrix orenii
Acta Crystallogr.,Sect.F, 67, 2011
|
|
1LU1
 | | THE STRUCTURE OF THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH THE FORSSMAN DISACCHARIDE | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ADENINE, CALCIUM ION, ... | | Authors: | Hamelryck, T.W, Loris, R, Bouckaert, J, Strecker, G, Imberty, A, Fernandez, E, Wyns, L, Etzler, M.E. | | Deposit date: | 1998-07-24 | | Release date: | 1998-12-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
|
|
1GT0
 | | Crystal structure of a POU/HMG/DNA ternary complex | | Descriptor: | 5'-D(*AP*TP*CP*CP*CP*AP*TP*TP*AP*GP* CP*AP*TP*CP*CP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3', 5'-D(*TP*TP*CP*TP*TP*TP*GP*TP*TP*TP* GP*GP*AP* TP*GP*CP*TP*AP*AP*TP*GP*GP*GP*A)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1, ... | | Authors: | Remenyi, A, Wilmanns, M. | | Deposit date: | 2002-01-09 | | Release date: | 2003-01-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of a POU/Hmg/DNA Ternary Complex Suggests Differential Assembly of Oct4 and Sox2 on Two Enhancers
Genes Dev., 17, 2003
|
|
3RP7
 | | Crystal Structure of Klebsiella pneumoniae HpxO complexed with FAD and uric acid | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIC ACID, flavoprotein monooxygenase | | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | | Deposit date: | 2011-04-26 | | Release date: | 2012-05-16 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (2.042 Å) | | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013
|
|
1LU2
 | | DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH THE BLOOD GROUP A TRISACCHARIDE | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, LECTIN, ... | | Authors: | Hamelryck, T.W, Loris, R, Bouckaert, J, Strecker, G, Imberty, A, Fernandez, E, Wyns, L, Etzler, M.E. | | Deposit date: | 1998-07-30 | | Release date: | 1998-12-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
|
|
1KYA
 | | ACTIVE LACCASE FROM TRAMETES VERSICOLOR COMPLEXED WITH 2,5-XYLIDINE | | Descriptor: | 2,5-DIMETHYLANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Bertrand, T, Jolivalt, C, Briozzo, P, Caminade, E, Joly, N, Madzak, C, Mougin, C. | | Deposit date: | 2002-02-04 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics.
Biochemistry, 41, 2002
|
|
1KVK
 | | The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase | | Authors: | Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J. | | Deposit date: | 2002-01-26 | | Release date: | 2002-03-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of a Binary complex
between a Mammalian Mevalonate Kinase and ATP: Insights into the
Reaction Mechanism and Human Inherited Disease
J.Biol.Chem., 277, 2002
|
|
1OJQ
 | | The crystal structure of C3stau2 from S. aureus | | Descriptor: | ADP-RIBOSYLTRANSFERASE | | Authors: | Evans, H.R, Sutton, J.M, Holloway, D.E, Ayriss, J, Shone, C.C, Acharya, K.R. | | Deposit date: | 2003-07-15 | | Release date: | 2003-08-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Crystal Structure of C3Stau2 from Staphylococcus Aureus and its Complex with Nad
J.Biol.Chem., 278, 2003
|
|
3T0J
 | |
1JOR
 | | Ensemble structures for unligated Staphylococcal nuclease-H124L | | Descriptor: | staphylococcal nuclease | | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | | Deposit date: | 2001-07-30 | | Release date: | 2001-08-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate.
J.Biomol.NMR, 10, 1997
|
|
3TQB
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with folate | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
|
|
3TQJ
 | | Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii | | Descriptor: | FE (II) ION, Superoxide dismutase [Fe] | | Authors: | Franklin, M.C, Cheung, J, Cassidy, M, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
|
|
3TRK
 | | Structure of the Chikungunya virus nsP2 protease | | Descriptor: | Nonstructural polyprotein, SODIUM ION | | Authors: | Cheung, J, Franklin, M, Mancia, F, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Structure of the Chikungunya virus nsP2 protease
To be Published
|
|
4APO
 | | AIP TPR domain in complex with human Tomm20 peptide | | Descriptor: | AH RECEPTOR-INTERACTING PROTEIN, DODECAETHYLENE GLYCOL, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG, ... | | Authors: | Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C. | | Deposit date: | 2012-04-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
|
|
3RP8
 | | Crystal Structure of Klebsiella pneumoniae R204Q HpxO complexed with FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, flavoprotein monooxygenase | | Authors: | Hicks, K.A, O'Leary, S.E, Begley, T.P, Ealick, S.E. | | Deposit date: | 2011-04-26 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Structural and Mechanistic Studies of HpxO, a Novel Flavin Adenine Dinucleotide-Dependent Urate Oxidase from Klebsiella pneumoniae.
Biochemistry, 52, 2013
|
|
1BH8
 | | HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE | | Descriptor: | TAFII18, TAFII28 | | Authors: | Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D. | | Deposit date: | 1998-06-16 | | Release date: | 1999-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family.
Cell(Cambridge,Mass.), 94, 1998
|
|
1JOO
 | | Averaged structure for unligated Staphylococcal nuclease-H124L | | Descriptor: | staphylococcal nuclease | | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | | Deposit date: | 2001-07-30 | | Release date: | 2001-08-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate.
J.Biomol.NMR, 10, 1997
|
|
1JYD
 | | Crystal Structure of Recombinant Human Serum Retinol-Binding Protein at 1.7 A Resolution | | Descriptor: | GLYCEROL, PLASMA RETINOL-BINDING PROTEIN | | Authors: | Greene, L.H, Chrysina, E.D, Irons, L.I, Papageorgiou, A.C, Acharya, K.R, Brew, K. | | Deposit date: | 2001-09-12 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Role of conserved residues in structure and stability: Tryptophans of human serum
retinol-binding protein, a model for the lipocalin superfamily
Protein Sci., 10, 2001
|
|
3TQ9
 | | Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with methotrexate | | Descriptor: | Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Franklin, M.C, Cassidy, M, Hillerich, B, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-11-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
|
|
2Q2Y
 | | Crystal Structure of KSP in complex with Inhibitor 1 | | Descriptor: | 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Yan, Y. | | Deposit date: | 2007-05-29 | | Release date: | 2007-09-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
1TW2
 | | Crystal structure of Carminomycin-4-O-methyltransferase (DnrK) in complex with S-adenosyl-L-homocystein (SAH) and 4-methoxy-e-rhodomycin T (M-ET) | | Descriptor: | Carminomycin 4-O-methyltransferase, METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-{[2,3,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-TETRACENE-1-CARBOXYLATE, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Jansson, A, Koskiniemi, H, Mantsala, P, Niemi, J, Schneider, G, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-06-30 | | Release date: | 2004-09-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a ternary complex of DnrK, a methyltransferase in daunorubicin biosynthesis, with bound products
J.Biol.Chem., 279, 2004
|
|
1TL8
 | | Human DNA topoisomerase I (70 kDa) in complex with the indenoisoquinoline AI-III-52 and covalent complex with a 22 base pair DNA duplex | | Descriptor: | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM, 5'-D(*(TPC)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | | Authors: | Ioanoviciu, A, Antony, S, Pommier, Y, Staker, B.L, Stewart, L, Cushman, M. | | Deposit date: | 2004-06-09 | | Release date: | 2005-06-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis and Mechanism of Action Studies of a Series of Norindenoisoquinoline Topoisomerase I Poisons Reveal an Inhibitor with a Flipped Orientation in the Ternary DNA-Enzyme-Inhibitor Complex As Determined by X-ray Crystallographic Analysis
J.Med.Chem., 48, 2005
|
|
