7LWD
 
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | | Deposit date: | 2021-03-01 | | Release date: | 2021-08-11 | | Last modified: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter.
Nat Commun, 12, 2021
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6D85
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5L2F
 | | High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51 I129L/K83D bound to doripenem | | Descriptor: | (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ... | | Authors: | June, C.M, Powers, R.A, Leonard, D.A, Muckenthaler, T. | | Deposit date: | 2016-08-01 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The structure of a doripenem-bound OXA-51 class D beta-lactamase variant with enhanced carbapenemase activity.
Protein Sci., 25, 2016
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4GRL
 | | Crystal structure of a autoimmune TCR-MHC complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II antigen, ... | | Authors: | Sethi, D.K, Wucherpfennig, K.W. | | Deposit date: | 2012-08-25 | | Release date: | 2013-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Crossreactivity of a human autoimmune TCR is dominated by a single TCR loop.
Nat Commun, 4, 2013
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5I0M
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1D8Y
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA | | Descriptor: | D(T)19 OLIGOMER, DNA POLYMERASE I, SULFATE ION, ... | | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | | Deposit date: | 1999-10-26 | | Release date: | 1999-12-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
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5L2H
 | | Crystal Structure of W26A mutant of anti-EGFR Centyrin P54AR4-83v2 | | Descriptor: | Centyrin, GLYCEROL | | Authors: | Cardoso, R.M.F, Goldberg, S.D, O Neil, K.T, Gilliland, G.L. | | Deposit date: | 2016-08-01 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8013 Å) | | Cite: | Engineering a targeted delivery platform using Centyrins.
Protein Eng. Des. Sel., 29, 2016
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3NPU
 | | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | | Descriptor: | deoxyribose phosphate aldolase | | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2010-06-29 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
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6D74
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5AE3
 | | Ether Lipid-Generating Enzyme AGPS in complex with antimycin A | | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
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5I76
 | | Crystal structure of FM318, a recombinant Fab adopted from cetuximab | | Descriptor: | FM318_heavy_cahin, FM318_light_chain | | Authors: | Sim, D.W, Kim, J.H, Seok, S.H, Seo, M.D, Kim, Y.P, Won, H.S. | | Deposit date: | 2016-02-16 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Bacterial production and structure-functional validation of a recombinant antigen-binding fragment (Fab) of an anti-cancer therapeutic antibody targeting epidermal growth factor receptor.
Appl.Microbiol.Biotechnol., 100, 2016
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5V7N
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and 2-Keto-D-gluconic acid | | Descriptor: | 2-keto-D-gluconic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shabalin, I.G, Handing, K.B, Miks, C.D, Kutner, J, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-03-20 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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1D1J
 | | CRYSTAL STRUCTURE OF HUMAN PROFILIN II | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, PROFILIN II, ... | | Authors: | Nodelman, I.M, Bowman, G.D, Lindberg, U, Schutt, C.E. | | Deposit date: | 1999-09-17 | | Release date: | 2000-12-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structure determination of human profilin II: A comparative structural analysis of human profilins.
J.Mol.Biol., 294, 1999
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5IO9
 | | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | | Descriptor: | Neuronal migration protein doublecortin | | Authors: | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | | Deposit date: | 2016-03-08 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
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1CRI
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5INZ
 | | Racemic structure of baboon theta defensin-2 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ... | | Authors: | Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J. | | Deposit date: | 2016-03-08 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
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6D81
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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1D7H
 | | FKBP COMPLEXED WITH DMSO | | Descriptor: | AMMONIUM ION, DIMETHYL SULFOXIDE, PROTEIN (FK506-BINDING PROTEIN), ... | | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | | Deposit date: | 1999-10-18 | | Release date: | 1999-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies.
J.Mol.Biol., 295, 2000
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6D97
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7LTG
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN | | Descriptor: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Beshore, D.C. | | Deposit date: | 2021-02-19 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
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7LTK
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7LTL
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6GUQ
 | | Crystal structure of GanP, a glucose-galactose binding protein from Geobacillus stearothermophilus, in complex with glucose | | Descriptor: | Putative sugar binding protein, beta-D-glucopyranose | | Authors: | Sherf, D, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2018-06-19 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.385 Å) | | Cite: | The crystal structure of GanP, a glucose-galactose binding protein from Geobacillus stearothermophilus, in complex with glucose
To Be Published
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5L9H
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | | Descriptor: | 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2016-06-10 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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6D6F
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