3UJC
 
 | | Phosphoethanolamine methyltransferase mutant (H132A) from Plasmodium falciparum in complex with phosphocholine | | Descriptor: | PHOSPHOCHOLINE, Phosphoethanolamine N-methyltransferase | | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | | Deposit date: | 2011-11-07 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
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3USR
 | | Structure of Y194F glycogenin mutant truncated at residue 270 | | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | | Authors: | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | | Deposit date: | 2011-11-23 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
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4K2G
 | | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | | Descriptor: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | | Deposit date: | 2013-04-09 | | Release date: | 2014-06-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
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3QCS
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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2BNU
 | | Structural and kinetic basis for heightened immunogenicity of T cell vaccines | | Descriptor: | T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION | | Authors: | Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2005-04-04 | | Release date: | 2005-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
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4K0G
 | | Crystal structure of human CLIC1 C24S mutant | | Descriptor: | ACETATE ION, CALCIUM ION, Chloride intracellular channel protein 1 | | Authors: | Phang, J.M, Harrop, S.J, Duff, A.P, Wilk, K.E, Curmi, P.M.G. | | Deposit date: | 2013-04-03 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure analysis of CLIC1 C24 mutants
To be Published
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4K1E
 | | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ... | | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | Deposit date: | 2013-04-04 | | Release date: | 2014-04-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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3SKY
 | | 2.1A crystal structure of the phosphate bound ATP binding domain of Archaeoglobus fulgidus COPB | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Copper-exporting P-type ATPase B, PHOSPHATE ION | | Authors: | Jayakanthan, S, Roberts, S.A, Weichsel, A, Arguello, J.M, McEvoy, M.M. | | Deposit date: | 2011-06-23 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformations of the apo-, substrate-bound and phosphate-bound ATP-binding domain of the Cu(II) ATPase CopB illustrate coupling of domain movement to the catalytic cycle.
Biosci.Rep., 32, 2012
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4FX7
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4KGA
 | | Crystal structure of kallikrein-related peptidase 4 | | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION | | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | | Deposit date: | 2013-04-29 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
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4G28
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1 | | Descriptor: | 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ... | | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | | Deposit date: | 2012-07-11 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
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4DWD
 | | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium
To be Published
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2FDN
 | | 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDI-URICI | | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Dauter, Z, Wilson, K.S, Sieker, L.C, Meyer, J, Moulis, J.M. | | Deposit date: | 1997-10-01 | | Release date: | 1998-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Atomic resolution (0.94 A) structure of Clostridium acidurici ferredoxin. Detailed geometry of [4Fe-4S] clusters in a protein.
Biochemistry, 36, 1997
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4DG0
 | | Crystal structure of myristoylated WT catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP | | Descriptor: | MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Bastidas, A.C, Steichen, J.M, Taylor, S.S. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-06 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
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4DKP
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-50 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | Deposit date: | 2012-02-03 | | Release date: | 2012-05-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7978 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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6JB5
 | | Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II) | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | | Deposit date: | 2019-01-25 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody.
Sci Rep, 9, 2019
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3SN1
 | | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate | | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and tartrate
To be Published
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3QD0
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide | | Descriptor: | (3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | Deposit date: | 2011-01-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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4IGI
 | | Crystal structure of the Collagen VI alpha3 N5 domain | | Descriptor: | Collagen alpha3(VI) | | Authors: | Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M. | | Deposit date: | 2012-12-17 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
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4DG2
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3V4A
 | | Structure of ar lbd with activator peptide and sarm inhibitor 2 | | Descriptor: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
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3V6F
 | | Crystal Structure of an anti-HBV e-antigen monoclonal Fab fragment (e6), unbound | | Descriptor: | Fab e6 Heavy Chain, Fab e6 Light Chain | | Authors: | Dimattia, M.A, Watts, N.R, Stahl, S.J, Grimes, J.M, Steven, A.C, Stuart, D.I, Wingfield, P.T. | | Deposit date: | 2011-12-19 | | Release date: | 2013-02-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Antigenic switching of hepatitis B virus by alternative dimerization of the capsid protein.
Structure, 21, 2013
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4DPP
 | | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana | | Descriptor: | Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION | | Authors: | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | | Deposit date: | 2012-02-14 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
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1GOD
 | | MONOMERIC LYS-49 PHOSPHOLIPASE A2 HOMOLOGUE ISOLATED FROM THE VENOM OF CERROPHIDION (BOTHROPS) GODMANI | | Descriptor: | PROTEIN (PHOSPHOLIPASE A2) | | Authors: | Arni, R.K, Fontes, M.R.M, Barberato, C, Gutierrez, J.M, Diaz-Oreiro, C, Ward, R.J. | | Deposit date: | 1999-04-16 | | Release date: | 1999-04-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of myotoxin II, a monomeric Lys49-phospholipase A2 homologue isolated from the venom of Cerrophidion (Bothrops) godmani.
Arch.Biochem.Biophys., 366, 1999
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6XJT
 | | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | | Authors: | Baumhardt, J.M, Chook, Y.M. | | Deposit date: | 2020-06-24 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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