1K4W
 
 | | X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation | | Descriptor: | Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1 | | Authors: | Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P. | | Deposit date: | 2001-10-09 | | Release date: | 2002-04-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
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1FHK
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2N4W
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7LXD
 | | Structure of yeast DNA Polymerase Zeta (apo) | | Descriptor: | DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ... | | Authors: | Truong, C.D, Craig, T.A, Cui, G, Botuyan, M.V, Serkasevich, R.A, Chan, K.-Y, Mer, G, Chiu, P.-L, Kumar, R. | | Deposit date: | 2021-03-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.11 Å) | | Cite: | Cryo-EM reveals conformational flexibility in apo DNA polymerase zeta.
J.Biol.Chem., 297, 2021
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2IA5
 | | T4 polynucleotide kinase/phosphatase with bound sulfate and magnesium. | | Descriptor: | ARSENIC, MAGNESIUM ION, Polynucleotide kinase, ... | | Authors: | Zhu, H, Smith, P.C, Wang, L.K, Lima, C.D, Shuman, S. | | Deposit date: | 2006-09-07 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-function analysis of the 3' phosphatase component of T4 polynucleotide kinase/phosphatase.
Virology, 366, 2007
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4C0Y
 | | Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E18 | | Descriptor: | FAB EV18 4 D6-1 F1 G9, VP1, VP2, ... | | Authors: | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2013-08-08 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2Y7L
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1W6H
 | | Novel plasmepsin II-inhibitor complex | | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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5O44
 | | Crystal structure of unbranched mixed tri-Ubiquitin chain containing K48 and K63 linkages. | | Descriptor: | MAGNESIUM ION, Polyubiquitin-B, SULFATE ION, ... | | Authors: | Padala, P, Isupov, M.N, Wiener, R. | | Deposit date: | 2017-05-26 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | The Crystal Structure and Conformations of an Unbranched Mixed Tri-Ubiquitin Chain Containing K48 and K63 Linkages.
J. Mol. Biol., 429, 2017
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4M1P
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4GQC
 | | Crystal Structure of Aeropyrum pernix Peroxiredoxin Q Enzyme in Fully-Folded and Locally-Unfolded Conformations | | Descriptor: | DITHIANE DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Perkins, A, Karplus, P.A, Gretes, M.C, Nelson, K.J, Poole, L.B. | | Deposit date: | 2012-08-22 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping the Active Site Helix-to-Strand Conversion of CxxxxC Peroxiredoxin Q Enzymes.
Biochemistry, 51, 2012
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1K4X
 | | POTASSIUM FORM OF OXY-1.5 QUADRUPLEX DNA | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3') | | Authors: | Schultze, P, Hud, N.V, Smith, F.W, Feigon, J. | | Deposit date: | 1999-06-08 | | Release date: | 1999-06-23 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The effect of sodium, potassium and ammonium ions on the conformation of the dimeric quadruplex formed by the Oxytricha nova telomere repeat oligonucleotide d(G(4)T(4)G(4)).
Nucleic Acids Res., 27, 1999
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3JZ2
 | | Crystal structure of human thrombin mutant N143P in E* form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ... | | Authors: | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | | Deposit date: | 2009-09-22 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
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2YPF
 | | Structure of the AvrBs3-DNA complex provides new insights into the initial thymine-recognition mechanism | | Descriptor: | 5'-D(*TP*AP*GP*AP*GP*GP*GP*TP*TP*AP*GP*GP*TP*TP *TP*AP*TP*AP*TP*AP*AP)-3', 5'-D(*TP*TP*TP*AP*TP*AP*TP*AP*AP*AP*CP*CP*TP*AP *AP*CP*CP*CP*TP*CP*TP*AP)-3', AVRBS3 | | Authors: | Stella, S, Molina, R, Yefimenko, I, Prieto, J, Silva, G.H, Bertonati, C, Juillerat, A, Duchateau, P, Montoya, G. | | Deposit date: | 2012-10-30 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the Avrbs3-DNA Complex Provides New Insights Into the Initial Thymine-Recognition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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7K5F
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor KM-5-50 | | Descriptor: | 4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells.
Acs Infect Dis., 7, 2021
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5O8T
 | | Crystal structure of wild type Aplysia californica AChBP in complex with strychnine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-14 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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1RN9
 | | A SHORT LEXITROPSIN THAT RECOGNIZES THE DNA MINOR GROOVE AT 5'-ACTAGT-3': UNDERSTANDING THE ROLE OF ISOPROPYL-THIAZOLE | | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | | Authors: | Anthony, N.G, Johnston, B.F, Khalaf, A.I, Mackay, S.P, Parkinson, J.A, Suckling, C.J, Waigh, R.D. | | Deposit date: | 2003-12-01 | | Release date: | 2004-08-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Short Lexitropsin that Recognizes the DNA Minor Groove at 5'-ACTAGT-3': Understanding the Role of Isopropyl-thiazole.
J.Am.Chem.Soc., 126, 2004
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7JV8
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 35 | | Descriptor: | 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ... | | Authors: | Gibbons, P, Du, X. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
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2C4G
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 | | Descriptor: | (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G. | | Deposit date: | 2005-10-19 | | Release date: | 2005-11-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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5OAD
 | | Crystal structure of mutant AChBP in complex with HEPES (T53F, Q74R, Y110A, I135S, G162E) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-21 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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2J5S
 | | Structural of ABDH, a beta-diketone hydrolase from the Cyanobacterium Anabaena sp. PCC 7120 bound to (S)-3-oxocyclohexyl acetic acid | | Descriptor: | (S)-CYCLOHEXANONE-2-ACETATE, BETA-DIKETONE HYDROLASE, NICKEL (II) ION | | Authors: | Bennett, J.P, Whittingham, J.L, Brzozowski, A.M, Leonard, P.M, Grogan, G. | | Deposit date: | 2006-09-19 | | Release date: | 2007-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Characterisation of a Beta Diketone Hydrolase from the Cyanobacterium Anabaena Sp. Pcc 7120 in Native and Product Bound Forms, a Coenzyme A-Independent Member of the Crotonase Suprafamily
Biochemistry, 46, 2007
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2YPB
 | | Structure of the SCL:E47 complex bound to DNA | | Descriptor: | EBOX FORWARD, EBOX REVERSE, T-CELL ACUTE LYMPHOCYTIC LEUKEMIA PROTEIN 1, ... | | Authors: | El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J. | | Deposit date: | 2012-10-30 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets.
Cell Rep., 4, 2013
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2J5I
 | | Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase | | Descriptor: | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | | Authors: | Leonard, P.M, Brzozowski, A.M, Lebedev, A, Marshall, C.M, Smith, D.J, Verma, C.S, Walton, N.J, Grogan, G. | | Deposit date: | 2006-09-18 | | Release date: | 2006-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A Resolution Structure of Hydroxycinnamoyl- Coenzyme a Hydratase-Lyase (Hchl) from Pseudomonas Fluorescens, an Enzyme that Catalyses the Transformation of Feruloyl-Coenzyme a to Vanillin.
Acta Crystallogr.,Sect.D, 62, 2006
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7JM2
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin | | Descriptor: | APRAMYCIN, Aminocyclitol acetyltransferase ApmA, CHLORIDE ION | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-30 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin
To Be Published
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2J94
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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