1T2H
 
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5VDP
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5KY5
 | | mouse POFUT1 in complex with EGF(+) and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EGF(+), GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-21 | | Release date: | 2017-05-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
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3HMH
 | | Crystal structure of the second bromodomain of human TBP-associated factor RNA polymerase 1-like (TAF1L) | | Descriptor: | Transcription initiation factor TFIID 210 kDa subunit | | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Zhang, Y, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-05-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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5L01
 | | Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid | | Descriptor: | (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | Deposit date: | 2016-07-26 | | Release date: | 2017-01-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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4XP3
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | Deposit date: | 2015-01-16 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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1BNI
 | | BARNASE WILDTYPE STRUCTURE AT PH 6.0 | | Descriptor: | BARNASE | | Authors: | Cameron, A, Henrick, K, Fersht, A.R, Dodson, G, Buckle, A.M. | | Deposit date: | 1995-05-17 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structural analysis of mutations in the hydrophobic cores of barnase.
J.Mol.Biol., 234, 1993
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5VEU
 | | Human Cytochrome P450 3A5 (CYP3A5) | | Descriptor: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | | Authors: | Hsu, M.-H, Johnson, E.F. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5.
Mol. Pharmacol., 93, 2018
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5LB3
 | | Crystal structure of human RECQL5 helicase in complex with ADP/Mg. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, MAGNESIUM ION, ... | | Authors: | Newman, J.A, Aitkenhead, H, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5.
Nucleic Acids Res., 45, 2017
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4XDC
 | | Active semisynthetic [FeFe]-hydrogenase CpI with aza-dithiolato-bridged [2Fe] cofactor | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Esselborn, J, Hofmann, E, Kurisu, G, Happe, T. | | Deposit date: | 2014-12-19 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A structural view of synthetic cofactor integration into [FeFe]-hydrogenases.
Chem Sci, 7, 2016
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5VDO
 | | Human cyclic GMP-AMP synthase (cGAS) in complex with 2',2'-cGAMP | | Descriptor: | 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Byrnes, L.J, Hall, J.D. | | Deposit date: | 2017-04-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.218 Å) | | Cite: | The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
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4ZPP
 | | Crystal Structure of Protocadherin Gamma C5 EC1-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ... | | Authors: | Wolcott, H.N, Goodman, K.M, Bahna, F, Mannepalli, S, Shapiro, L. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
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1BOD
 | | THE SOLUTION STRUCTURES OF MUTANT CALBINDIN D9K'S, AS DETERMINED BY NMR, SHOW THAT THE CALCIUM BINDING SITE CAN ADOPT DIFFERENT FOLDS | | Descriptor: | CALBINDIN D9K | | Authors: | Johansson, C, Ullner, M, Drakenberg, T. | | Deposit date: | 1993-04-23 | | Release date: | 1993-10-31 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | The solution structures of mutant calbindin D9k's, as determined by NMR, show that the calcium-binding site can adopt different folds.
Biochemistry, 32, 1993
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1CEI
 | | STRUCTURE DETERMINATION OF THE COLICIN E7 IMMUNITY PROTEIN (IMME7) THAT BINDS SPECIFICALLY TO THE DNASE-TYPE COLICIN E7 AND INHIBITS ITS BACTERIOCIDAL ACTIVITY | | Descriptor: | COLICIN E7 IMMUNITY PROTEIN | | Authors: | Chak, K.-F, Safo, M.K, Ku, W.-Y, Hsieh, S.-Y, Yuan, H.S. | | Deposit date: | 1996-03-19 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of the immunity protein of colicin E7 suggests a possible colicin-interacting surface.
Proc.Natl.Acad.Sci.USA, 93, 1996
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5KU1
 | | hMiro1 EF hand and cGTPase domains in the GDP-bound state | | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2016-07-12 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
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5KY3
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3I3N
 | | Crystal structure of the BTB-BACK domains of human KLHL11 | | Descriptor: | CHLORIDE ION, Kelch-like protein 11, THIOCYANATE ION | | Authors: | Murray, J.W, Cooper, C.D.O, Krojer, T, Mahajan, P, Salah, E, Keates, T, Savitsky, P, Pike, A.C.W, Roos, A, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-06-30 | | Release date: | 2009-08-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
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4Z4M
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4Z7V
 | | L3-12 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | | Authors: | Petersen, J, Rossjohn, J, Reid, H.H, Koning, F. | | Deposit date: | 2015-04-08 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
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5KYW
 | | crystal structure of Sec23 and TANGO1 peptide3 complex | | Descriptor: | Protein transport protein Sec23A, Protein transport protein Sec24D, TANGO1 peptide3, ... | | Authors: | Ma, W, Goldberg, J. | | Deposit date: | 2016-07-22 | | Release date: | 2016-09-07 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1DEV
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4YYZ
 | | 11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Branden, G, Boden, C, Ogg, D. | | Deposit date: | 2015-03-24 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.
Medchemcomm, 6, 2016
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3LH9
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3LK9
 | | DNA polymerase beta with a gapped DNA substrate and dTMP(CF2)P(CF2)P | | Descriptor: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Zibinsky, M, Surya Prakash, G.K, Upton, T.G, Kashemirov, B.A, McKenna, C.E, Oertell, K, Goodman, M.F, Batra, V.K, Pedersen, L.C, Beard, W.A, Wilson, S.H. | | Deposit date: | 2010-01-27 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Synthesis and biological evaluation of fluorinated deoxynucleotide analogs based on bis-(difluoromethylene)triphosphoric acid.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4ZG9
 | | Structural basis for inhibition of human autotaxin by four novel compounds | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2015-04-22 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
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