4QYG
 
 | | CHK1 kinase domain in complex with diazacarbazole compound 14 | | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Wiesmann, C, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
3LPQ
 | | Human MitoNEET with 2Fe-2S Coordinating Ligand His 87 Replaced With Cys | | Descriptor: | CDGSH iron sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Conlan, A.R, Homer, C, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Zuris, J, Nechushtai, R, Paddock, M.L, Jennings, P.A. | | Deposit date: | 2010-02-05 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mutation of the His ligand in mitoNEET stabilizes the 2Fe-2S cluster despite conformational heterogeneity in the ligand environment.
Acta Crystallogr.,Sect.D, 67, 2011
|
|
4NDW
 | |
3LPU
 | | HIV integrase | | Descriptor: | (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-06 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
|
|
1LR1
 | | Solution Structure of the Oligomerization Domain of the Bacterial Chromatin-Structuring Protein H-NS | | Descriptor: | dna-binding protein h-ns | | Authors: | Esposito, D, Petrovic, A, Harris, R, Ono, S, Eccleston, J, Mbabaali, A, Haq, I, Higgins, C.F, Hinton, J.C.D, Driscoll, P.C, Ladbury, J.E. | | Deposit date: | 2002-05-14 | | Release date: | 2003-01-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | H-NS Oligomerization Domain Structure Reveals the Mechanism for High Order
Self-association of the Intact Protein
J.Mol.Biol., 324, 2002
|
|
4R12
 | | Crystal structure of the gamma-secretase component Nicastrin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xie, T, Yan, C, Zhou, R, Zhao, Y, Sun, L, Yang, G, Lu, P, Ma, D, Shi, Y. | | Deposit date: | 2014-08-03 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the gamma-secretase component nicastrin.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4R5I
 | | Crystal structure of the DnaK C-terminus with the substrate peptide NRLLLTG | | Descriptor: | Chaperone protein DnaK, HSP70/DnaK Substrate Peptide: NRLLLTG, PHOSPHATE ION, ... | | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9702 Å) | | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
|
|
3LQU
 | |
4R59
 | |
4NL8
 | | PriA Helicase Bound to SSB C-terminal Tail Peptide | | Descriptor: | Primosome assembly protein PriA, Single-stranded DNA-binding protein, ZINC ION | | Authors: | Bhattacharyya, B, George, N.P, Thurmes, T.M, Keck, J.L. | | Deposit date: | 2013-11-13 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.08 Å) | | Cite: | Structural mechanisms of PriA-mediated DNA replication restart.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4NQN
 | | Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand | | Descriptor: | 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-25 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
|
|
1LML
 | | LEISHMANOLYSIN | | Descriptor: | LEISHMANOLYSIN, ZINC ION | | Authors: | Schlagenhauf, E, Etges, R, Metcalf, P. | | Deposit date: | 1997-03-13 | | Release date: | 1997-09-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The crystal structure of the Leishmania major surface proteinase leishmanolysin (gp63).
Structure, 6, 1998
|
|
1LNS
 | |
1LTO
 | | Human alpha1-tryptase | | Descriptor: | alpha tryptase I | | Authors: | Marquardt, U, Zettl, F, Huber, R, Bode, W, Sommerhoff, C.P. | | Deposit date: | 2002-05-20 | | Release date: | 2003-05-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of Human alpha1-Tryptase Reveals a Blocked Substrate-binding Region
J.MOL.BIOL., 321, 2002
|
|
3LB3
 | | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | | Descriptor: | 4-chlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | | Deposit date: | 2010-01-07 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Biophys.J., 99, 2010
|
|
4ODQ
 | | Structure of SlyD delta-IF from Thermus thermophilus in complex with S3 peptide | | Descriptor: | 30S ribosomal protein S3, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Quistgaard, E.M, Low, C, Nordlund, P. | | Deposit date: | 2014-01-10 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
|
|
3LWE
 | | The crystal structure of MPP8 | | Descriptor: | M-phase phosphoprotein 8 | | Authors: | Li, Z, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-23 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
Plos One, 6, 2011
|
|
4OL7
 | |
4RG8
 | | Structural and biochemical studies of a moderately thermophilic Exonuclease I from Methylocaldum szegediense | | Descriptor: | Exonuclease I, MAGNESIUM ION | | Authors: | Fei, L, Tian, S, Moysey, R, Misca, M, Barker, J.J, Smith, M.A, McEwan, P.A, Pilka, E.S, Crawley, L, Evans, T, Sun, D. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense.
Plos One, 10, 2015
|
|
4QYF
 | | CHK1 kinase domain in complex with aminopyrazine compound 13 | | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | | Authors: | Appleton, B, Wu, P. | | Deposit date: | 2014-07-24 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
3LPT
 | | HIV integrase | | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-05 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
|
|
4R01
 | | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4 | | Descriptor: | CHLORIDE ION, SULFATE ION, putative NADH-flavin reductase | | Authors: | Stogios, P.J, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-07-29 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of SP1627, a putative NADH-flavin reductase, from Streptococcus pneumoniae TIGR4
TO BE PUBLISHED
|
|
1NEP
 | | Crystal Structure Analysis of the Bovine NPC2 (Niemann-Pick C2) Protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epididymal secretory protein E1, PHOSPHATE ION | | Authors: | Friedland, N, Liou, H.-L, Lobel, P, Stock, A.M. | | Deposit date: | 2002-12-11 | | Release date: | 2003-01-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a Cholesterol-binding Protein Deficient in Niemann-Pick Type C2 Disease
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
1N7X
 | | HUMAN SERUM TRANSFERRIN, N-LOBE Y45E MUTANT | | Descriptor: | CARBONATE ION, FE (III) ION, Serotransferrin | | Authors: | Adams, T.E, Mason, A.B, He, Q.Y, Halbrooks, P.J, Briggs, S.K, Smith, V.C, Macgillivray, R.T, Everse, S.J. | | Deposit date: | 2002-11-18 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | THE POSITION OF ARGININE 124 CONTROLS THE RATE OF IRON RELEASE FROM THE N-LOBE OF HUMAN SERUM TRANSFERRIN. A STRUCTURAL STUDY
J.Biol.Chem., 278, 2003
|
|
1NAF
 | |
