6L4Z
 
 | | Crystal structure of Zika NS2B-NS3 protease with compound 6 | | Descriptor: | 4-(hydroxymethyl)benzoic acid, Genome polyprotein | | Authors: | Quek, J.P. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
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5MEQ
 | | Human Leukocyte Antigen A02 presenting ILAKFLHTL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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5MEX
 | | Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)and sinigrin | | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hirschmann, F, Krause, F, Baruch, P, Chizhov, I, Mueller, J.W, Manstein, D.J, Papenbrock, J, Fedorov, R. | | Deposit date: | 2016-11-16 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism.
Sci Rep, 7, 2017
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5F1W
 | | Crystal structure of the enantiomer of a macrocyclic peptide containing fragments from alpha synuclein 36-55 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Macrocyclic peptide, SULFATE ION | | Authors: | Salveson, P.J, Spencer, R.K, Nowick, J.S. | | Deposit date: | 2015-11-30 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.161 Å) | | Cite: | X-ray Crystallographic Structure of Oligomers Formed by a Toxic beta-Hairpin Derived from alpha-Synuclein: Trimers and Higher-Order Oligomers.
J.Am.Chem.Soc., 138, 2016
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7JVH
 | | Crystal structure of a GH43_12 retrieved from capybara gut metagenome | | Descriptor: | GLYCEROL, Glycoside Hydrolase Family 43_12 | | Authors: | Cabral, L, Domingues, M.N, Martins, M.P, Persinoti, G.F, Morais, M.A.B, Murakami, M.T. | | Deposit date: | 2020-08-21 | | Release date: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of a GH43_12 retrieved from capybara gut metagenome
To Be Published
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4Q3M
 | | Crystal structure of MGS-M4, an aldo-keto reductase enzyme from a Medee basin deep-sea metagenome library | | Descriptor: | MGS-M4, SODIUM ION, SULFATE ION | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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8T9A
 | | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3 | | Descriptor: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3 | | Authors: | Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y. | | Deposit date: | 2023-06-23 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
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3IS7
 | | Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution | | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | | Deposit date: | 2009-08-25 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
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4D2W
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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1T7Z
 | | Zn-alpha-2-glycoprotein; baculo-ZAG no PEG, no glycerol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | | Authors: | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | | Deposit date: | 2004-05-11 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
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8PM2
 | | Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G. | | Deposit date: | 2023-06-28 | | Release date: | 2023-08-09 | | Last modified: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f.
Biorxiv, 2023
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5TQ8
 | | Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin | | Descriptor: | Tyrosine-protein kinase JAK2, {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone | | Authors: | Chrencik, J, Jones, P. | | Deposit date: | 2016-10-23 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
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6LCN
 | | Crystal structure of Serine Acetyltransferase from Planctomyces limnophilus at 2.15A | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kumar, N, Singh, R.P, Singh, A.K, Kumaran, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Understanding Mechanics of competitive-allostery Using Engineered Cysteine Synthase Assembly
To Be Published
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1OTM
 | | Calcium-binding mutant of the internalin B LRR domain | | Descriptor: | internalin B | | Authors: | Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
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1FT0
 | | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT | | Descriptor: | RHO GDP-DISSOCIATION INHIBITOR 1 | | Authors: | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | | Deposit date: | 2000-09-11 | | Release date: | 2001-05-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI.
Acta Crystallogr.,Sect.D, 57, 2001
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313D
 | | Z-DNA HEXAMER WITH 5' OVERHANGS THAT FORM A REVERSE HOOGSTEEN BASE PAIR | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*GP*(5CM)P*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Mooers, B.H.M, Eichman, B.F, Ho, P.S. | | Deposit date: | 1997-02-04 | | Release date: | 1997-08-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The structures and relative stabilities of d(G x G) reverse Hoogsteen, d(G x T) reverse wobble, and d(G x C) reverse Watson-Crick base-pairs in DNA crystals.
J.Mol.Biol., 269, 1997
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4XLX
 | | Crystal structure of BjKS from Bradyrhizobium japonicum | | Descriptor: | Uncharacterized protein blr2150 | | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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4CUD
 | | Human Notch1 EGF domains 11-13 mutant fucosylated at T466 | | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, alpha-L-fucopyranose | | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | Deposit date: | 2014-03-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7ZD1
 | | Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Hg2+ ions | | Descriptor: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ADENOSINE, ... | | Authors: | Malecki, P.H, Gawel, M, Brzezinski, K. | | Deposit date: | 2022-03-29 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Hg2+ ions
To Be Published
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1FAE
 | | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellobiose | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-13 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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7ZD2
 | | Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Co2+ ions. | | Descriptor: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, ADENOSINE, ... | | Authors: | Malecki, P.H, Gawel, M, Brzezinski, K. | | Deposit date: | 2022-03-29 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Co2+ ions.
To Be Published
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6I4E
 | | Crystal Structure of Plasmodium falciparum actin I in the Mg-ADP state | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ... | | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | Deposit date: | 2018-11-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
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5MO7
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | Descriptor: | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE ION | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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2ZYA
 | | Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate | | Descriptor: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating | | Authors: | Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J. | | Deposit date: | 2009-01-19 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism
J.Struct.Biol., 169, 2010
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4XJA
 | | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | | Descriptor: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Brear, P. | | Deposit date: | 2015-01-08 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
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