3UEH
 
 | | Crystal structure of human Survivin H80A mutant | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | | Deposit date: | 2011-10-30 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
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6BSI
 | | Structure of HIV-1 RT complexed with an RNA/DNA hybrid containing the polypurine-tract sequence | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*TP*TP*TP*TP*CP*TP*TP*TP*TP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ... | | Authors: | Tian, L, Kim, M, Yang, W. | | Deposit date: | 2017-12-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1OH2
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3UU7
 | | Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-A | | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen receptor, Nuclear receptor coactivator 1 | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UUC
 | | Crystal structure of hERa-LBD (wt) in complex with bisphenol-C | | Descriptor: | 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, Estrogen receptor | | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | | Deposit date: | 2011-11-28 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1Y3Q
 | | Structure of AlgQ1, alginate-binding protein | | Descriptor: | AlgQ1, CALCIUM ION | | Authors: | Momma, K, Mishima, Y, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2004-11-26 | | Release date: | 2005-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Direct Evidence for Sphingomonas sp. A1 Periplasmic Proteins as Macromolecule-Binding Proteins Associated with the ABC Transporter: Molecular Insights into Alginate Transport in the Periplasm(,)
Biochemistry, 44, 2005
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3UXG
 | | Crystal structure of RFXANK | | Descriptor: | DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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1Y6A
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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1JH7
 | | Semi-reduced Inhibitor-bound Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana | | Descriptor: | SULFATE ION, URIDINE-2',3'-VANADATE, cyclic phosphodiesterase | | Authors: | Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A. | | Deposit date: | 2001-06-27 | | Release date: | 2002-02-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the semireduced and inhibitor-bound forms of cyclic nucleotide phosphodiesterase from Arabidopsis thaliana.
J.Biol.Chem., 277, 2002
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6BLP
 | | Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-11 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.203 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1Y89
 | | Crystal Structure of devB protein | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | | Authors: | Lazarski, K, Cymborowski, M, Chruszcz, M, Zheng, H, Zhang, R, Lezondra, L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of devB protein
To be Published
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1XI8
 | | Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001 | | Descriptor: | Molybdenum cofactor biosynthesis protein | | Authors: | Zhou, W, Zhao, M, Chang, J.C, Liu, Z.-J, Chen, L, Horanyi, P, Xu, H, Yang, H, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-21 | | Release date: | 2004-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001
To be published
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1JEJ
 | | T4 phage apo BGT | | Descriptor: | DNA BETA-GLUCOSYLTRANSFERASE | | Authors: | Morera, S, Lariviere, L, Kurzeck, J, Aschke-Sonnenborn, U, Freemont, P.S, Janin, J, Ruger, W. | | Deposit date: | 2001-06-18 | | Release date: | 2001-08-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High resolution crystal structures of T4 phage beta-glucosyltransferase: induced fit and effect of substrate and metal binding.
J.Mol.Biol., 311, 2001
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6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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3ZQG
 | | Structure of Tetracycline repressor in complex with antiinducer peptide-TAP2 | | Descriptor: | ANTI-INDUCER PEPTIDE TAP2, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | | Deposit date: | 2011-06-09 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes.
J.Mol.Biol., 416, 2012
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3ZWB
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 2TRANS-HEXENOYL-COA | | Descriptor: | (2E)-Hexenoyl-CoA, GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, ... | | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 2011-07-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
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1XH4
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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3ZOI
 | | ISOPENICILLIN N SYNTHASE WITH AC-O-METHYL-D-THREONINE | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE, FE (III) ION, GLYCEROL, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Ge, W. | | Deposit date: | 2013-02-21 | | Release date: | 2013-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The Crystal Structure of an Isopenicillin N Synthase Complex with an Ethereal Substrate Analogue Reveals Water in the Oxygen Binding Site.
FEBS Lett., 587, 2013
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1XRR
 | | Crystal structure of active site F1-mutant E245Q soaked with peptide Pro-Pro | | Descriptor: | PROLINE, Proline iminopeptidase | | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | | Deposit date: | 2004-10-15 | | Release date: | 2005-07-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
J.Biol.Chem., 280, 2005
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6C8K
 | | RNA-activated 2-AIpG monomer complex, 30 min soaking | | Descriptor: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-24 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.259 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6C8O
 | | RNA-activated 2-AIpG monomer, 3h soaking | | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-25 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6BL1
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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6BM4
 | | Pol II elongation complex with an abasic lesion at i-1 position,soaking UMPNPP | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BKZ
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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3ZPX
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