8B23
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8B21
| Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 0-60-seconds post reaction initiation with Na+ | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-BETA-D-MALTOSIDE, K(+)-stimulated pyrophosphate-energized sodium pump, ... | Authors: | Strauss, J, Vidilaseris, K, Goldman, A. | Deposit date: | 2022-09-12 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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6G07
| RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide | Authors: | Kallen, J. | Deposit date: | 2018-03-16 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J. Med. Chem., 61, 2018
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6TCY
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5CNC
| Ultrafast dynamics in myoglobin: 0.6 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4RQW
| Crystal structure of Myc3 N-terminal JAZ-binding domain [44-238] from Arabidopsis | Descriptor: | CALCIUM ION, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J, Zhou, M, Xu, H.E, Melcher, K, He, S.Y. | Deposit date: | 2014-11-05 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. Nature, 525, 2015
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5FO4
| Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) | Descriptor: | LEUCYL TRNA SYNTHASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-18 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOD
| Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3 | Descriptor: | 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOC
| Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21) | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOF
| Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5CN9
| Ultrafast dynamics in myoglobin: 0.4 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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6G02
| Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2018-03-15 | Release date: | 2019-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors. Biochem. J., 475, 2018
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5CNG
| ultrafast dynamics in myoglobin: 150 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CJ8
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3UQD
| Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ... | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J. | Deposit date: | 2011-11-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations. Chem Sci, 10, 2019
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5CN4
| Ultrafast dynamics in myoglobin: -0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4OZH
| S16 protein complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ... | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2014-02-16 | Release date: | 2014-04-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease. Nat.Struct.Mol.Biol., 21, 2014
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5CN5
| Ultrafast dynamics in myoglobin: 0 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4RVZ
| Crystal structure of tRNA fluorescent labeling enzyme | Descriptor: | MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Dong, J, Li, F, Wang, J, Gong, W. | Deposit date: | 2014-11-29 | Release date: | 2015-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A covalent approach for site-specific RNA labeling in Mammalian cells. Angew.Chem.Int.Ed.Engl., 54, 2015
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5CMV
| Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CND
| Ultrafast dynamics in myoglobin: 3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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1ZPZ
| Factor XI catalytic domain complexed with N-((R)-1-(4-bromophenyl)ethyl)urea-Asn-Val-Arg-alpha-ketothiazole | Descriptor: | Coagulation factor XI, N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE, SULFATE ION | Authors: | Lin, J, Deng, H, Jin, L, Prandey, P, Rynkiewicz, M.J, Bibbins, F, Cantin, S, Quinn, J, Magee, S, Gorga, J. | Deposit date: | 2005-05-18 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, Synthesis and Biological Evaluation of Peptidomimetic FXIa Inhibitors To be Published
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2AXG
| The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation | Descriptor: | 10-mer peptide from BZLF1 trans-activator protein, ACETIC ACID, Beta-2-microglobulin, ... | Authors: | Tynan, F.E, Elhassen, D, Purcell, A.W, Burrows, J.M, Borg, N.A, Miles, J.J, Williamson, N.A, Green, K.J, Tellam, J, Kjer-Nielsen, L, McCluskey, J, Rossjohn, J, Burrows, S.R. | Deposit date: | 2005-09-05 | Release date: | 2005-11-29 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The immunogenicity of a viral cytotoxic T cell epitope is controlled by its MHC-bound conformation J.Exp.Med., 202, 2005
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1ZUC
| Progesterone receptor ligand binding domain in complex with the nonsteroidal agonist tanaproget | Descriptor: | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE, Progesterone receptor, SULFATE ION | Authors: | Zhang, Z, Olland, A.M, Zhu, Y, Cohen, J, Berrodin, T, Chippari, S, Appavu, C, Li, S, Wilhem, J, Chopra, R, Fensome, A, Zhang, P, Wrobel, J, Unwalla, R.J, Lyttle, C.R, Winneker, R.C. | Deposit date: | 2005-05-30 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular and pharmacological properties of a potent and selective novel nonsteroidal progesterone receptor agonist tanaproget J.Biol.Chem., 280, 2005
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5G2N
| X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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