5EGM
| Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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1L1M
| SOLUTION STRUCTURE OF A DIMER OF LAC REPRESSOR DNA-BINDING DOMAIN COMPLEXED TO ITS NATURAL OPERATOR O1 | Descriptor: | 5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*AP*TP*CP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*GP*AP*TP*AP*AP*CP*AP*AP*TP*TP*T)-3', Lactose operon repressor | Authors: | Kalodimos, C.G, Bonvin, A.M.J.J, Salinas, R.K, Wechselberger, R, Boelens, R, Kaptein, R. | Deposit date: | 2002-02-19 | Release date: | 2002-06-26 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Plasticity in protein-DNA recognition: lac repressor interacts with its natural operator 01 through alternative conformations of its DNA-binding domain. EMBO J., 21, 2002
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1KFT
| Solution Structure of the C-Terminal domain of UvrC from E-coli | Descriptor: | Excinuclease ABC subunit C | Authors: | Singh, S, Folkers, G.E, Bonvin, A.M.J.J, Boelens, R, Wechselberger, R, Niztayev, A, Kaptein, R. | Deposit date: | 2001-11-23 | Release date: | 2002-11-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and DNA-binding properties of the C-terminal domain of UvrC from E.coli EMBO J., 21, 2002
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8AXC
| Crystal structure of mouse Ces2c | Descriptor: | Acylcarnitine hydrolase, CHLORIDE ION, NICOTINAMIDE, ... | Authors: | Eisner, H, Riegler-Berket, L, Rodriguez Gamez, C, Sagmeister, T, Chalhoub, G, Darnhofer, B, Panikkaveetil Jawaharlal, J, Birner-Gruenberger, R, Pavkov-Keller, T, Haemmerle, G, Schoiswohl, G, Oberer, M. | Deposit date: | 2022-08-31 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The Crystal Structure of Mouse Ces2c, a Potential Ortholog of Human CES2, Shows Structural Similarities in Substrate Regulation and Product Release to Human CES1. Int J Mol Sci, 23, 2022
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1U9L
| Structural basis for a NusA- protein N interaction | Descriptor: | GOLD ION, Lambda N, Transcription elongation protein nusA | Authors: | Bonin, I, Muehlberger, R, Bourenkov, G.P, Huber, R, Bacher, A, Richter, G, Wahl, M.C. | Deposit date: | 2004-08-10 | Release date: | 2004-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the interaction of Escherichia coli NusA with protein N of phage lambda Proc.Natl.Acad.Sci.Usa, 101, 2004
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1D1N
| SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2 | Descriptor: | INITIATION FACTOR 2 | Authors: | Meunier, S, Spurio, S, Czisch, M, Wechselberger, R, Gueunneugues, M. | Deposit date: | 1999-09-20 | Release date: | 2000-09-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2. EMBO J., 19, 2000
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2LRD
| The solution structure of the monomeric Acanthaporin | Descriptor: | Acanthaporin | Authors: | Michalek, M, Soennichsen, F.D, Wechselberger, R, Dingley, A.J, Wienk, H, Simanski, M, Herbst, R, Lorenzen, I, Marciano-Cabral, F, Gelhaus, C, Groetzinger, J, Leippe, M. | Deposit date: | 2012-03-28 | Release date: | 2012-05-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and function of a unique pore-forming protein from a pathogenic acanthamoeba. Nat.Chem.Biol., 9, 2013
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2LRE
| The solution structure of the dimeric Acanthaporin | Descriptor: | Acanthaporin | Authors: | Michalek, M, Soennichsen, F.D, Wechselberger, R, Dingley, A.J, Wienk, H, Simanski, M, Herbst, R, Lorenzen, I, Marciano-Cabral, F, Gelhaus, C, Groetzinger, J, Leippe, M. | Deposit date: | 2012-03-28 | Release date: | 2012-05-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and function of a unique pore-forming protein from a pathogenic acanthamoeba. Nat.Chem.Biol., 9, 2013
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4J19
| Structure of a novel telomere repeat binding protein bound to DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*A)-3'), ... | Authors: | Kappei, D, Butter, F, Benda, C, Scheibe, M, Draskovic, I, Stevense, M, Lopes Novo, C, Basquin, C, Krastev, D.B, Kittler, R, Jessberger, R, Londono-Vallejo, A.J, Mann, M, Buchholz, F. | Deposit date: | 2013-02-01 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HOT1 is a mammalian direct telomere repeat-binding protein contributing to telomerase recruitment. Embo J., 32, 2013
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8PKI
| Cryo-EM structure of NR5A2-nucleosome complex SHL+5.5 | Descriptor: | DNA, Histone H2A, Histone H2B type 1-C/E/G, ... | Authors: | Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K. | Deposit date: | 2023-06-26 | Release date: | 2024-02-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition. Nat.Struct.Mol.Biol., 31, 2024
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8PKJ
| Cryo-EM structure of the nucleosome containing Nr5a2 motif at SHL+5.5 | Descriptor: | DNA, Histone H2A, Histone H2B, ... | Authors: | Kobayashi, W, Sappler, A, Bollschweiler, D, Kummecke, M, Basquin, J, Arslantas, E, Ruangroengkulrith, S, Hornberger, R, Duderstadt, K, Tachibana, K. | Deposit date: | 2023-06-26 | Release date: | 2024-02-28 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Nucleosome-bound NR5A2 structure reveals pioneer factor mechanism by DNA minor groove anchor competition. Nat.Struct.Mol.Biol., 31, 2024
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2NVJ
| NMR structures of transmembrane segment from subunit a from the yeast proton V-ATPase | Descriptor: | 25mer peptide from Vacuolar ATP synthase subunit a, vacuolar isoform | Authors: | Hemminga, M.A, van Mierlo, C.P, Wechselberger, R, de Jong, E.R, Duarte, A.M. | Deposit date: | 2006-11-13 | Release date: | 2007-10-02 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Segment TM7 from the cytoplasmic hemi-channel from V(O)-H(+)-V-ATPase includes a flexible region that has a potential role in proton translocation Biochim.Biophys.Acta, 1768, 2007
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7NUG
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7NUH
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8VQ2
| HSV1 polymerase ternary complex with dsDNA and compound 44 | Descriptor: | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ... | Authors: | Hayes, R.P, Heo, M.R, Plotkin, M. | Deposit date: | 2024-01-17 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (3.829 Å) | Cite: | Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships. Acs Med.Chem.Lett., 15, 2024
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6B97
| Crystal structure of PDE2 in complex with complex 9 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-1-methyl-N-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B98
| PDE2 in complex with compound 1 | Descriptor: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6B96
| Crystal Structure of PDE2 in complex with compound 16 | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6CYC
| PDE2 in complex with compound 5 | Descriptor: | 1,2-ETHANEDIOL, 3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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6CYB
| PDE2 in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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6CYD
| PDE2 in complex with compound 7 | Descriptor: | 1,2-ETHANEDIOL, 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ... | Authors: | Lu, J. | Deposit date: | 2018-04-05 | Release date: | 2018-09-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
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4Z0K
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4YZU
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6EZD
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4ZXF
| Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | Descriptor: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | Authors: | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | Deposit date: | 2015-05-20 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p. Biochim.Biophys.Acta, 1861, 2016
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