5CFK
 
 | | Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution | | Descriptor: | Proliferating cell nuclear antigen,Proliferating cell nuclear antigen | | Authors: | Shukla, P.K, Yadav, S.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2015-07-08 | | Release date: | 2015-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution
To Be Published
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5CJ1
 | | Crystal structure of the coiled coil of MYH7 residues 1526 to 1571 fused to Gp7 | | Descriptor: | Gp7-MYH7-(1526-1571) chimera protein | | Authors: | Taylor, K.C, Korkmaz, E.N, Andreas, M.P, Ajay, G, Heinz, N.T, Cui, Q, Rayment, I. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A composite approach towards a complete model of the myosin rod.
Proteins, 84, 2016
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5U61
 | | CcP gateless cavity | | Descriptor: | 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Fischer, M, Shoichet, B.K. | | Deposit date: | 2016-12-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.222 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5FQL
 | | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | | Deposit date: | 2015-12-11 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
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5CGC
 | | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ... | | Authors: | Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M. | | Deposit date: | 2015-07-09 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
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4ABB
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4ABZ
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5FII
 | | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | | Descriptor: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | | Authors: | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
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4AOU
 | | CtIDH bound to NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Fedoy, A.-E, Leiros, I, Steen, I.H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The complex structures of isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila suggest a new active site locking mechanism.
Febs Open Bio, 2, 2012
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5TRE
 | | Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers | | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-10-26 | | Release date: | 2017-06-07 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (15.6 Å) | | Cite: | Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
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4ADG
 | | Crystal structure of the Rubella virus envelope Glycoprotein E1 in post-fusion form (crystal form II) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A. | | Deposit date: | 2011-12-26 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
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4AML
 | | CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN | | Descriptor: | 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL | | Authors: | Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V. | | Deposit date: | 2012-03-12 | | Release date: | 2012-04-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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5FSH
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5U7N
 | | CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Cytochrome c oxidase subunit 2 | | Authors: | Otero, L.H, Klinke, S, Espinoza-Cara, A, Vila, A.J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis.
Chem Sci, 9, 2018
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5FLG
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP | | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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5TRW
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1XZ3
 | | Complex of apoferritin with isoflurane | | Descriptor: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, CADMIUM ION, Ferritin light chain | | Authors: | Liu, R, Loll, P.J, Eckenhoff, R.G. | | Deposit date: | 2004-11-11 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for high-affinity volatile anesthetic binding in a natural 4-helix bundle protein.
Faseb J., 19, 2005
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5FZP
 | | Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis | | Descriptor: | CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL | | Authors: | Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A. | | Deposit date: | 2016-03-15 | | Release date: | 2016-08-10 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
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5CMQ
 | | Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star | | Descriptor: | Ferritin heavy chain, ZINC ION | | Authors: | Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
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1XY3
 | | Urate oxidase from aspergillus flavus complexed with guanine | | Descriptor: | GUANINE, Uricase | | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | | Deposit date: | 2004-11-09 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
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5CNS
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-18 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.975 Å) | | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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5FZ4
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-10 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
To be Published
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4A4I
 | | Crystal structure of the human Lin28b cold shock domain | | Descriptor: | GLYCEROL, PROTEIN LIN-28 HOMOLOG B, SULFATE ION | | Authors: | Mayr, F, Schuetz, A, Doege, N, Heinemann, U. | | Deposit date: | 2011-10-14 | | Release date: | 2012-08-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
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5FZC
 | | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-14 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZL
 | | Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | | Deposit date: | 2016-03-14 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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