6FI1
 
 | | Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2018-01-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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7QCQ
 | | VHH Z70 in interaction with PHF6 Tau peptide | | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | | Deposit date: | 2021-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment.
Mol.Ther., 30, 2022
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1Q0H
 | | Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ... | | Authors: | Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C. | | Deposit date: | 2003-07-16 | | Release date: | 2004-07-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
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1BWY
 | | NMR STUDY OF BOVINE HEART FATTY ACID BINDING PROTEIN | | Descriptor: | PROTEIN (HEART FATTY ACID BINDING PROTEIN) | | Authors: | Lassen, D, Luecke, C, Kveder, M, Mesgarzadeh, A, Schmidt, J.M, Specht, B, Lezius, A, Spener, F, Rueterjans, H. | | Deposit date: | 1998-09-29 | | Release date: | 1998-10-07 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of bovine heart fatty-acid-binding protein with bound palmitic acid, determined by multidimensional NMR spectroscopy.
Eur.J.Biochem., 230, 1995
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3ZRY
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7O33
 | | Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide | | Descriptor: | APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain | | Authors: | Schilz, J, Skerra, A. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
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2VJ6
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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7QE7
 | | High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 | | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | Authors: | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | | Deposit date: | 2021-12-01 | | Release date: | 2022-01-26 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
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6R7Y
 | | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form) | | Descriptor: | Anoctamin-10, CALCIUM ION | | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-29 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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2K54
 | | Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727 . | | Descriptor: | Protein Atu0742 | | Authors: | Lemak, A, Yee, A, Gutmanas, A, Fares, C, Semesi, A, Arrowsmith, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-24 | | Release date: | 2008-08-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of protein ATC0727 from Agrobacterium Tumefaciens.
To be Published
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2KDB
 | | Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A | | Descriptor: | Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein | | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-06 | | Release date: | 2009-02-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp)
To be Published
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2XAF
 | | Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine | | Descriptor: | 3-(4-BROMOPHENYL)PROPANAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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2XAQ
 | | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b) | | Descriptor: | 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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4J70
 | | Yeast 20S proteasome in complex with the belactosin derivative 3e | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S. | | Deposit date: | 2013-02-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action.
J.Med.Chem., 56, 2013
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4J9I
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6SPX
 | | Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | | Descriptor: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | | Authors: | Niefind, K, Schnitzler, A. | | Deposit date: | 2019-09-03 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
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4YDX
 | | Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ... | | Authors: | Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A. | | Deposit date: | 2015-02-23 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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4H02
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4YEA
 | | Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement | | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-23 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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7MWQ
 | | Structure of De Novo designed beta sheet heterodimer LHD29A53/B53 | | Descriptor: | LHD29A53, LHD29B53 | | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | | Deposit date: | 2021-05-17 | | Release date: | 2022-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
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7MWR
 | | Structure of De Novo designed beta sheet heterodimer LHD101A53/B4 | | Descriptor: | LHD101A54, LHD101B4, MALONATE ION | | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | | Deposit date: | 2021-05-17 | | Release date: | 2022-01-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design.
Science, 375, 2022
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4J9F
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2VGF
 | | HUMAN ERYTHROCYTE PYRUVATE KINASE: T384M mutant | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Valentini, G, Chiarelli, L.R, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A. | | Deposit date: | 2007-11-12 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
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3ZF3
 | | Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84I mutant). | | Descriptor: | DUTPASE, NICKEL (II) ION | | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | | Deposit date: | 2012-12-10 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
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1JVT
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