2L6T
 
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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1XYL
 | | THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID | | Descriptor: | HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE | | Authors: | Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Biochemistry, 33, 1994
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1V9D
 | | Crystal structure of the core FH2 domain of mouse mDia1 | | Descriptor: | Diaphanous protein homolog 1, SULFATE ION | | Authors: | Shimada, A, Nyitrai, M, Vetter, I.R, Kuhlmann, D, Bugyi, B, Narumiya, S, Geeves, M.A, Wittinghofer, A. | | Deposit date: | 2004-01-24 | | Release date: | 2004-03-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The core FH2 domain of diaphanous-related formins is an elongated actin binding protein that inhibits polymerization.
Mol.Cell, 13, 2004
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8RCQ
 | | Structural flexibility of Nucleoprotein of the Toscana virus in the presence of a nanobody. | | Descriptor: | Nucleoprotein, VHH | | Authors: | Papageorgiou, N, Ferron, F, Coutard, B, Lichiere, J, Baklouti, A. | | Deposit date: | 2023-12-06 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural flexibility of Toscana virus nucleoprotein in the presence of a single-chain camelid antibody.
Acta Crystallogr D Struct Biol, 80, 2024
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3HYB
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3V2B
 | | Human poly(adp-ribose) polymerase 15 (ARTD7, BAL3), macro domain 2 in complex with adenosine-5-diphosphoribose | | Descriptor: | Poly [ADP-ribose] polymerase 15, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kotzcsh, A, Kraulis, P, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-12 | | Release date: | 2011-12-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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4DJ2
 | | Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function | | Descriptor: | Period circadian protein homolog 1 | | Authors: | Kucera, N, Schmalen, I, Hennig, S, Oellinger, R, Strauss, H.M, Grudziecki, A, Wieczorek, C, Kramer, A, Wolf, E. | | Deposit date: | 2012-02-01 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8RI5
 | | Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking | | Descriptor: | AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.415 Å) | | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
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8SGW
 | | Pendrin in complex with chloride | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, CHOLESTEROL, ... | | Authors: | Wang, L, Hoang, A, Zhou, M. | | Deposit date: | 2023-04-13 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
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4LPX
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4EUY
 | | Crystal structure of thioredoxin-like protein BCE_0499 from Bacillus cereus ATCC 10987 | | Descriptor: | Uncharacterized protein | | Authors: | Shabalin, I.G, Kagan, O, Chruszcz, M, Grabowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-16 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of thioredoxin-like protein BCE_0499 from
Bacillus cereus
To be Published
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4EV6
 | | The complete structure of CorA magnesium transporter from Methanocaldococcus jannaschii | | Descriptor: | MAGNESIUM ION, Magnesium transport protein CorA, UNDECYL-MALTOSIDE | | Authors: | Guskov, A, Nordin, N, Reynaud, A, Engman, H, Lundback, A.-K, Jong, A.J.O, Cornvik, T, Phua, T, Eshaghi, S. | | Deposit date: | 2012-04-25 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the mechanisms of Mg2+ uptake, transport, and gating by CorA
Proc.Natl.Acad.Sci.USA, 109, 2012
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6CJ0
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5KJN
 | | SMYD2 in complex with AZ506 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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4AFQ
 | | Human Chymase - Fynomer Complex | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ... | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
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8RI3
 | | Crystal structure of transplatin/B-DNA adduct obtained upon 7 days of soaking | | Descriptor: | AMMONIA, CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), ... | | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
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4F0G
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1HR1
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2G3V
 | | Crystal structure of CagS (HP0534, Cag13) from Helicobacter pylori | | Descriptor: | (UNK)(UNK)(UNK)(UNK)(UNK)(MSE)(UNK), CAG pathogenicity island protein 13 | | Authors: | Cendron, L, Tasca, E, Angelini, A, Seydel, A, Battistutta, R, Montecucco, C, Zanotti, G. | | Deposit date: | 2006-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CagS from helicobacter pylori
To be Published
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4F0F
 | | Crystal Structure of the Roco4 Kinase Domain bound to AppCp from D. discoideum | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase roco4 | | Authors: | Gilsbach, B.K, Vetter, I.R, Wittinghofer, A, Kortholt, A. | | Deposit date: | 2012-05-04 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Roco kinase structures give insights into the mechanism of Parkinson disease-related leucine-rich-repeat kinase 2 mutations.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1B30
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5DN3
 | | Aurora A in complex with ATP and AA35. | | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | | Deposit date: | 2015-09-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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4ARA
 | | Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ... | | Authors: | Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | Deposit date: | 2024-01-17 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An allosteric cyclin E-CDK2 site mapped by paralog hopping with covalent probes.
Nat.Chem.Biol., 2024
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1T92
 | | Crystal structure of N-terminal truncated pseudopilin PulG | | Descriptor: | General secretion pathway protein G, ZINC ION | | Authors: | Koehler, R, Schaefer, K, Mueller, S, Vignon, G, Diederichs, K, Philippsen, A, Ringler, P, Pugsley, A.P, Engel, A, Welte, W. | | Deposit date: | 2004-05-14 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and assembly of the pseudopilin PulG.
Mol.Microbiol., 54, 2004
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