2MJN
 
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6ALK
 | | NMR solution structure of the major beech pollen allergen Fag s 1 | | Descriptor: | Fag s 1 pollen allergen | | Authors: | Moraes, A.H, Asam, A, Almeida, F.C.L, Wallner, M, Ferreira, F, Valente, A.P. | | Deposit date: | 2017-08-08 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for cross-reactivity and conformation fluctuation of the major beech pollen allergen Fag s 1.
Sci Rep, 8, 2018
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2MH3
 | | NMR structure of the basic helix-loop-helix region of the transcriptional repressor HES-1 | | Descriptor: | Transcription factor HES-1 | | Authors: | Wienk, H, Popovic, M, Coglievina, M, Boelens, R, Pongor, S, Pintar, A. | | Deposit date: | 2013-11-15 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA.
Proteins, 82, 2014
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6RWQ
 | | Engineered beta-lactoglobulin: variant F105L in complex with myristic acid | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID | | Authors: | Loch, J.I, Gotkowski, M, Lewinski, K. | | Deposit date: | 2019-06-05 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
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6RWR
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6AWW
 | | Structure of PR 10 Allergen Ara h 8.01 in complex with 3-Hydroxy-2-naphthoic acid | | Descriptor: | 3-hydroxynaphthalene-2-carboxylic acid, Ara h 8 allergen, SODIUM ION | | Authors: | Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
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5SF8
 | | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide | | Descriptor: | 4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Koerner, M, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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1WCC
 | | Screening for fragment binding by X-ray crystallography | | Descriptor: | 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M. | | Deposit date: | 2004-11-12 | | Release date: | 2005-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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1J0T
 | | The solution structure of molt-inhibiting hormone from the kuruma prawn | | Descriptor: | MOLT-INHIBITING HORMONE | | Authors: | Katayama, H, Nagata, K, Ohira, T, Yumoto, F, Tanokura, M, Nagasawa, H. | | Deposit date: | 2002-11-22 | | Release date: | 2002-12-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The solution structure of molt-inhibiting hormone from the Kuruma prawn Marsupenaeus japonicus
J.Biol.Chem., 278, 2003
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2M3Y
 | | DNA containing a cluster of 8-oxo-guanine and abasic site lesion: beta anomer | | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*CP*(AAB)P*CP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*GP*GP*GP*AP*(8OG)P*CP*G)-3') | | Authors: | Zalesak, J, Jourdan, M, Constant, J, Lourdin, M. | | Deposit date: | 2013-01-28 | | Release date: | 2014-01-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of DNA duplexes containing a cluster of mutagenic 8-oxoguanine and abasic site lesions.
J.Mol.Biol., 426, 2014
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2RKW
 | | Intermediate position of ATP on its trail to the binding pocket inside the subunit B mutant R416W of the energy converter A1Ao ATP synthase | | Descriptor: | V-type ATP synthase beta chain | | Authors: | Kumar, A, Manimekalai, M.S.S, Balakrishna, A.M, Hunke, C, Gruber, G. | | Deposit date: | 2007-10-18 | | Release date: | 2008-09-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Spectroscopic and crystallographic studies of the mutant R416W give insight into the nucleotide binding traits of subunit B of the A1Ao ATP synthase
Proteins, 75, 2009
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6AVY
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6AVV
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2MGY
 | | Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195 | | Descriptor: | N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide, Translocator protein | | Authors: | Jaremko, M, Jaremko, L, Giller, K, Becker, S, Zweckstetter, M. | | Deposit date: | 2013-11-11 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the mitochondrial translocator protein in complex with a diagnostic ligand.
Science, 343, 2014
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5AD3
 | | Bivalent binding to BET bromodomains | | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | Deposit date: | 2015-08-19 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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6ANE
 | | Crystal Structure of Ideonella sakaiensis PET Hydrolase | | Descriptor: | MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase | | Authors: | Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A. | | Deposit date: | 2017-08-12 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.
Biophys. J., 114, 2018
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1WMP
 | | Crystal structure of amine oxidase complexed with cobalt ion | | Descriptor: | COBALT (II) ION, Phenylethylamine oxidase | | Authors: | Okajima, T, Kishishita, S, Chiu, Y.C, Murakawa, T, Kim, M, Yamaguchi, H, Hirota, S, Kuroda, S, Tanizawa, K. | | Deposit date: | 2004-07-13 | | Release date: | 2005-08-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reinvestigation of metal ion specificity for quinone cofactor biogenesis in bacterial copper amine oxidase
Biochemistry, 44, 2005
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2M3X
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1WTB
 | | Complex structure of the C-terminal RNA-binding domain of hnRNP D (AUF1) with telomere DNA | | Descriptor: | 5'-D(P*TP*AP*GP*G)-3', Heterogeneous nuclear ribonucleoprotein D0 | | Authors: | Enokizono, Y, Konishi, Y, Nagata, K, Ouhashi, K, Uesugi, S, Ishikawa, F, Katahira, M. | | Deposit date: | 2004-11-22 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of hnRNP D complexed with single-stranded telomere DNA and unfolding of the quadruplex by heterogeneous nuclear ribonucleoprotein D
J.Biol.Chem., 280, 2005
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2MK4
 | | Solution structure of ORF2 | | Descriptor: | Open reading frame 2 | | Authors: | Miyakawa, T, Kobayashi, H, Tashiro, M, Yamanaka, H, Tanokura, M. | | Deposit date: | 2014-01-24 | | Release date: | 2015-03-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Action of the External Chaperone for a Propeptide-deficient Serine Protease from Aeromonas sobria.
J.Biol.Chem., 290, 2015
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5EYR
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution | | Descriptor: | 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one, EthR | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-25 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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1IVB
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2M1W
 | | TICAM-2 TIR domain | | Descriptor: | TIR domain-containing adapter molecule 2 | | Authors: | Enokizono, Y, Kumeta, H, Funami, K, Horiuchi, M, Sarmiento, J, Yamashita, K, Standley, D.M, Matsumoto, M, Seya, T, Inagaki, F. | | Deposit date: | 2012-12-07 | | Release date: | 2014-01-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structures and interface mapping of the TIR domain-containing adaptor molecules involved in interferon signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6EB2
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid | | Descriptor: | (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase | | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
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2M50
 | | Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a). | | Descriptor: | Mu-theraphotoxin-Hh2a | | Authors: | Gibbs, A, Minassian, N, Flinspach, M, Wickenden, A. | | Deposit date: | 2013-02-12 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
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