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1I8H
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SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH HUMAN TAU PHOSPHOTHREONINE PEPTIDE
Descriptor: MICROTUBULE-ASSOCIATED PROTEIN TAU, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I.
Deposit date:2001-03-14
Release date:2001-07-18
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
5JUL
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BU of 5jul by Molmil
Near atomic structure of the Dark apoptosome
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK
Authors:Cheng, T.C, Akey, I.V, Yuan, S, Yu, Z, Ludtke, S.J, Akey, C.W.
Deposit date:2016-05-10
Release date:2017-02-22
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A Near-Atomic Structure of the Dark Apoptosome Provides Insight into Assembly and Activation.
Structure, 25, 2017
1I4K
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BU of 1i4k by Molmil
CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM1) FROM ARCHAEOGLOBUS FULGIDUS AT 2.5A RESOLUTION
Descriptor: CITRIC ACID, PUTATIVE SNRNP SM-LIKE PROTEIN
Authors:Toro, I, Thore, S, Mayer, C, Basquin, J, Seraphin, B, Suck, D.
Deposit date:2001-02-22
Release date:2001-08-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RNA binding in an Sm core domain: X-ray structure and functional analysis of an archaeal Sm protein complex.
EMBO J., 20, 2001
1KW0
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Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-01-28
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
5JY9
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An iron-bound structure of the salicylate synthase Irp9
Descriptor: ACETATE ION, FE (II) ION, Putative salicylate synthetase, ...
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-05-13
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
1ULX
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Partially photolyzed structure of CO-bound heme-heme oxygenase complex
Descriptor: CARBON MONOXIDE, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Sakamoto, H, Noguchi, M, Fukuyama, K.
Deposit date:2003-09-16
Release date:2004-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:CO-trapping site in heme oxygenase revealed by photolysis of its co-bound heme complex: mechanism of escaping from product inhibition
J.Mol.Biol., 341, 2004
5JS3
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Thermolysin in complex with JC114.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-05-07
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
5JT0
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Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+
Descriptor: (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ...
Authors:Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E.
Deposit date:2016-05-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
1UP3
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Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, PUTATIVE CELLULASE CEL6, SULFATE ION, ...
Authors:Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J.
Deposit date:2003-09-26
Release date:2004-11-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
5JT5
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tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazole-5-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide, CHLORIDE ION, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2016-05-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
1UWR
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Structure of beta-glycosidase from Sulfolobus solfataricus in complex with 2-deoxy-2-fluoro-galactose
Descriptor: 2-deoxy-2-fluoro-alpha-D-galactopyranose, ACETATE ION, BETA-GALACTOSIDASE
Authors:Gloster, T.M, Roberts, S, Ducros, V.M.-A, Perugino, G, Rossi, M, Hoos, R, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2004-02-11
Release date:2004-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Studies of the Beta-Glycosidase from Sulfolobus Solfataricus in Complex with Covalently and Noncovalently Bound Inhibitors.
Biochemistry, 43, 2004
5JW9
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The Crystal Structure of ELL2 Oclludin Domain and AFF4 peptide
Descriptor: AF4/FMR2 family member 4, RNA polymerase II elongation factor ELL2
Authors:Qi, S, Hurley, J.H.
Deposit date:2016-05-11
Release date:2017-02-08
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for ELL2 and AFF4 activation of HIV-1 proviral transcription.
Nat Commun, 8, 2017
5JXT
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BU of 5jxt by Molmil
Crystal structure of MtISWI bound with histone H4 tail
Descriptor: Chromatin-remodeling complex ATPase-like protein, Histone H4
Authors:Chen, Z, Yan, L.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.009 Å)
Cite:Structure and regulation of the chromatin remodeller ISWI
Nature, 540, 2016
5JZA
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Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese and N-oxalylglycine
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, MANGANESE (II) ION, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-16
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
5JZU
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BU of 5jzu by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and factor X substrate peptide fragment (26mer)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, MANGANESE (II) ION, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-17
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
1UJL
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BU of 1ujl by Molmil
Solution Structure of the HERG K+ channel S5-P extracellular linker
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Torres, A.M, Bansal, P.S, Sunde, M, Clarke, C.E, Bursill, J.A, Smith, D.J, Bauskin, A, Breit, S.N, Campbell, T.J, Alewood, P.F, Kuchel, P.W, Vandenberg, J.I.
Deposit date:2003-08-05
Release date:2003-11-04
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of the HERG K+ channel S5P extracellular linker: role of an amphipathic alpha-helix in C-type inactivation.
J.Biol.Chem., 278, 2003
5JXF
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Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp
Descriptor: ARGININE, ASPARTIC ACID, Asp/Glu-specific dipeptidyl-peptidase, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
1KSK
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BU of 1ksk by Molmil
STRUCTURE OF RSUA
Descriptor: RIBOSOMAL SMALL SUBUNIT PSEUDOURIDINE SYNTHASE A, URACIL
Authors:Sivaraman, J, Sauve, V, Larocque, R, Stura, E.A, Schrag, J.D, Cygler, M, Matte, A.
Deposit date:2002-01-13
Release date:2002-04-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the 16S rRNA pseudouridine synthase RsuA bound to uracil and UMP.
Nat.Struct.Biol., 9, 2002
1V7R
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BU of 1v7r by Molmil
Structure of nucleotide triphosphate pyrophosphatase from pyrococcus horikoshii OT3
Descriptor: CITRIC ACID, hypothetical protein PH1917
Authors:Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-12-22
Release date:2003-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes.
J.Mol.Biol., 375, 2008
5K1S
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BU of 5k1s by Molmil
crystal structure of AibC
Descriptor: Oxidoreductase, zinc-binding dehydrogenase family, ZINC ION
Authors:Bock, T, Mueller, R, Blankenfeldt, W.
Deposit date:2016-05-18
Release date:2016-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Acta Crystallogr.,Sect.F, 72, 2016
1KV7
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Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
Descriptor: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
Authors:Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
Deposit date:2002-01-25
Release date:2002-02-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
1KV2
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Human p38 MAP Kinase in Complex with BIRB 796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
5JOU
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Bacteroides ovatus Xyloglucan PUL GH31
Descriptor: 1,2-ETHANEDIOL, Alpha-xylosidase BoGH31A, NICKEL (II) ION
Authors:Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
1KV1
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p38 MAP Kinase in Complex with Inhibitor 1
Descriptor: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, p38 MAP kinase
Authors:Pargellis, C, Tong, L, Churchill, L, Cirillo, P.F, Gilmore, T, Graham, A.G, Grob, P.M, Hickey, E.R, Moss, N, Pav, S, Regan, J.
Deposit date:2002-01-23
Release date:2002-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site.
Nat.Struct.Biol., 9, 2002
5JQ1
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Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
Descriptor: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, S.
Deposit date:2016-05-04
Release date:2017-06-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017

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