6U6P
 
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5OD7
 | | Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time | | Descriptor: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | | Authors: | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J.Med.Chem., 61, 2018
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5NYM
 | | Crystal structure of the atypical poplar thioredoxin-like2.1 in reduced state | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SULFATE ION, ... | | Authors: | Chibani, K, Saul, F.A, Haouz, A, Rouhier, N. | | Deposit date: | 2017-05-11 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural snapshots along the reaction mechanism of the atypical poplar thioredoxin-like2.1.
FEBS Lett., 592, 2018
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6U6R
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4YMS
 | | Crystal structure of an amino acid ABC transporter | | Descriptor: | ABC-type amino acid transport system, permease component, ABC-type polar amino acid transport system, ... | | Authors: | Ge, J, Yu, J, Yang, M. | | Deposit date: | 2015-03-07 | | Release date: | 2015-04-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for substrate specificity of an amino acid ABC transporter
Proc.Natl.Acad.Sci.USA, 112, 2015
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6U6S
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6IIA
 | | MexB in complex with LMNG | | Descriptor: | Lauryl Maltose Neopentyl Glycol, Multidrug resistance protein MexB | | Authors: | Nakashima, R, Sakurai, K, Nakao, K. | | Deposit date: | 2018-10-04 | | Release date: | 2019-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structures of multidrug efflux pump MexB bound with high-molecular-mass compounds.
Sci Rep, 9, 2019
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6HQ5
 | | Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, ... | | Authors: | Lovering, A.L, Cadby, I.T. | | Deposit date: | 2018-09-24 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
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6TUX
 | | human XPG-DNA, Complex 2 | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*GP*AP*GP*TP*T)-3'), DNA repair protein complementing XP-G cells,DNA repair protein complementing XP-G cells | | Authors: | Ruiz, F.M, Fernandez-Tornero, C. | | Deposit date: | 2020-01-08 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair.
Nucleic Acids Res., 48, 2020
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5HNQ
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6UDJ
 | | HIV-1 bNAb 1-18 in complex with BG505 SOSIP.664 and 10-1074 | | Descriptor: | 1-18 Fab Heavy Chain, 1-18 Fab Light Chain, 10-1074 Fab Heavy Chain, ... | | Authors: | Abernathy, M.E, Barnes, C.O, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2019-09-19 | | Release date: | 2020-01-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Restriction of HIV-1 Escape by a Highly Broad and Potent Neutralizing Antibody.
Cell, 180, 2020
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5NU7
 | | Structure of human holo plasma RBP4 | | Descriptor: | CHLORIDE ION, RETINOL, Retinol-binding protein 4 | | Authors: | Perduca, M, Monaco, H.L, Galliano, M. | | Deposit date: | 2017-04-28 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Human plasma retinol-binding protein (RBP4) is also a fatty acid-binding protein.
Biochim. Biophys. Acta, 1863, 2018
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4XZ2
 | | Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kloos, M, Strater, N. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
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5NYN
 | | Crystal structure of the atypical poplar thioredoxin-like2.1 in complex with gluathione | | Descriptor: | GLUTATHIONE, SULFATE ION, Thioredoxin-like protein 2.1 | | Authors: | Chibani, K, Saul, F.A, Haouz, A, Rouhier, N. | | Deposit date: | 2017-05-11 | | Release date: | 2018-02-28 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural snapshots along the reaction mechanism of the atypical poplar thioredoxin-like2.1.
FEBS Lett., 592, 2018
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5NRE
 | | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - a3GalT in complex with lactose - a3GalT-LAT | | Descriptor: | N-acetyllactosaminide alpha-1,3-galactosyltransferase, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | | Deposit date: | 2017-04-22 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4Y65
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6ZU3
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5NM8
 | | Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942, with PLP bound | | Descriptor: | CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, PipY | | Authors: | Tremino, L, Forcada-Nadal, A, Contreras, A, Rubio, V. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Studies on cyanobacterial protein PipY shed light on structure, potential functions, and vitamin B6 -dependent epilepsy.
FEBS Lett., 591, 2017
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5NN2
 | | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
To Be Published
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5G4Q
 | | H.pylori Beta clamp in complex with 5-chloroisatin | | Descriptor: | 5-chloro-1H-indole-2,3-dione, DNA POLYMERASE III SUBUNIT BETA | | Authors: | Pandey, P, Gourinath, S. | | Deposit date: | 2016-05-16 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Antibiotics (Basel), 7, 2018
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5NQ3
 | | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ... | | Authors: | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
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5G38
 | | PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | | Deposit date: | 2016-04-24 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
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5G21
 | | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26). | | Descriptor: | ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | | Deposit date: | 2016-04-06 | | Release date: | 2017-02-15 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
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4WXJ
 | | Drosophila muscle GluRIIB complex with glutamate | | Descriptor: | GLUTAMIC ACID, Glutamate receptor IIB,Glutamate receptor IIB | | Authors: | Dharkar, P, Mayer, M.L. | | Deposit date: | 2014-11-13 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6SG4
 | | Structure of CDK2/cyclin A M246Q, S247EN | | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | | Authors: | Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2019-08-02 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation.
J.Mol.Biol., 433, 2021
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