4V5I
| Structure of the Phage P2 Baseplate in its Activated Conformation with Ca | Descriptor: | CALCIUM ION, ORF15, ORF16, ... | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | Deposit date: | 2010-02-05 | Release date: | 2014-07-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (5.464 Å) | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation. Proc.Natl.Acad.Sci.USA, 107, 2010
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4W8V
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4W94
| Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | Deposit date: | 2014-08-27 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold Inorg.Chem., 54, 2015
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1AZE
| NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES | Descriptor: | GRB2, SOS | Authors: | Vidal, M, Gincel, E, Goudreau, N, Cornille, F, Parker, F, Duchesne, M, Tocque, B, Garbay, C, Roques, B.P. | Deposit date: | 1997-11-17 | Release date: | 1999-05-18 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Molecular and cellular analysis of Grb2 SH3 domain mutants: interaction with Sos and dynamin. J.Mol.Biol., 290, 1999
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1AUU
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4UWF
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4W52
| T4 Lysozyme L99A with Benzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5001 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W54
| T4 Lysozyme L99A with Ethylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7901 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W57
| T4 Lysozyme L99A with n-Butylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6801 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UWG
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4W51
| T4 Lysozyme L99A with No Ligand Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W53
| T4 Lysozyme L99A with Toluene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W56
| T4 Lysozyme L99A with sec-Butylbenzene Bound | Descriptor: | (2R)-butan-2-ylbenzene, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W59
| T4 Lysozyme L99A with n-Hexylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, hexylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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1BW0
| CRYSTAL STRUCTURE OF TYROSINE AMINOTRANSFERASE FROM TRYPANOSOMA CRUZI | Descriptor: | PROTEIN (TYROSINE AMINOTRANSFERASE) | Authors: | Blankenfeldt, W, Montemartini, M, Hunter, G.R, Kalisz, H.M, Nowicki, C, Hecht, H.J. | Deposit date: | 1998-09-28 | Release date: | 1999-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Trypanosoma cruzi tyrosine aminotransferase: substrate specificity is influenced by cofactor binding mode. Protein Sci., 8, 1999
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4WCZ
| Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans | Descriptor: | Enoyl-CoA hydratase/isomerase | Authors: | Tkaczuk, K.L, Cooper, D.R, Chapman, H.C, Niedzialkowska, E, Cymborowski, M.T, Hillerich, B.S, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-05 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of a putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans to be published
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4W8Y
| Structure of full length Cmr2 from Pyrococcus furiosus (Manganese bound form) | Descriptor: | CRISPR system Cmr subunit Cmr2, MANGANESE (II) ION, ZINC ION | Authors: | Benda, C, Ebert, J, Baumgaertner, M, Conti, E. | Deposit date: | 2014-08-26 | Release date: | 2014-10-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4. Mol.Cell, 56, 2014
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4WAB
| Crystal structure of mPGES1 solved by native-SAD phasing | Descriptor: | 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase | Authors: | Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M. | Deposit date: | 2014-08-29 | Release date: | 2014-12-10 | Last modified: | 2015-02-11 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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1BJ3
| CRYSTAL STRUCTURE OF COAGULATION FACTOR IX-BINDING PROTEIN (IX-BP) FROM VENOM OF HABU SNAKE WITH A HETERODIMER OF C-TYPE LECTIN DOMAINS | Descriptor: | CALCIUM ION, PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN A), PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN B) | Authors: | Mizuno, H, Fujimoto, Z, Koizumi, M, Kano, H, Atoda, H, Morita, T. | Deposit date: | 1998-07-02 | Release date: | 1999-08-16 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of coagulation factor IX-binding protein from habu snake venom at 2.6 A: implication of central loop swapping based on deletion in the linker region. J.Mol.Biol., 289, 1999
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4W8X
| Crystal Structure of Cmr1 from Pyrococcus furiosus bound to a nucleotide | Descriptor: | CRISPR system Cmr subunit Cmr1-1, GUANOSINE-3'-MONOPHOSPHATE, PHOSPHATE ION | Authors: | Benda, C, Ebert, J, Baumgaertner, M, Conti, E. | Deposit date: | 2014-08-26 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4. Mol.Cell, 56, 2014
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4UUR
| Cold-adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE HEMOGLOBIN-LIKE OXYGEN-BINDING PROTEIN | Authors: | Pesce, A, Giordano, D, Riccio, A, Nardini, M, Caldelli, E, Howes, B, Bustamante, J.P, Boechi, L, Estrin, D, di Prisco, G, Smulevich, G, Verde, C, Bolognesi, M. | Deposit date: | 2014-07-31 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Flexibility of the Heme Cavity in the Cold-Adapted Truncated Hemoglobin from the Antarctic Marine Bacterium Pseudoalteromonas Haloplanktis Tac125. FEBS J., 282, 2015
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4UV0
| Structure of a semisynthetic phosphorylated DAPK | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL | Authors: | de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M. | Deposit date: | 2014-08-01 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works To be Published
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1BL4
| FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND | Descriptor: | PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | Authors: | Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D. | Deposit date: | 1998-07-23 | Release date: | 1998-09-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity. Proc.Natl.Acad.Sci.USA, 95, 1998
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4UQF
| CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I | Descriptor: | GTP cyclohydrolase 1 | Authors: | Schuessler, S, Perbandt, M, Fischer, M, Graewert, T. | Deposit date: | 2014-06-23 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target. Acta Crystallogr.,Sect.F, 75, 2019
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4UUQ
| Crystal structure of human mono-glyceride lipase in complex with SAR127303 | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
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