6AVG
 
 | | Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex | | Descriptor: | ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gully, B.S, Gras, S, Rossjohn, J. | | Deposit date: | 2017-09-02 | | Release date: | 2018-02-28 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
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4HYW
 | | Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium and F26BP | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2012-11-14 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase.
Acta Crystallogr.,Sect.D, 69, 2013
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4I45
 | | Crystal Structure of Orf6 protein from Photobacterium profundum, Mg2+-bound form | | Descriptor: | MAGNESIUM ION, ORF6 thioesterase | | Authors: | Rodriguez-Guilbe, M.M, Baerga-Ortiz, A, Schreiter, E.R. | | Deposit date: | 2012-11-27 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, Activity, and Substrate Selectivity of the Orf6 Thioesterase from Photobacterium profundum.
J.Biol.Chem., 288, 2013
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8GO3
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6CB3
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6CC3
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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4JFB
 | | Crystal structure of OmpF in C2 with tNCS | | Descriptor: | Outer membrane protein F | | Authors: | Wiseman, B, Kilburg, A, Chaptal, V, Reyes-Meija, G.C, Sarwan, J, Falson, P, Jault, J.M. | | Deposit date: | 2013-02-28 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.801 Å) | | Cite: | Stubborn contaminants: influence of detergents on the purity of the multidrug ABC transporter BmrA
PLoS ONE, 9, 2014
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8H3W
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6VOT
 | | Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434 | | Descriptor: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | van den Akker, F. | | Deposit date: | 2020-01-31 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.
J.Med.Chem., 63, 2020
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8H4H
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6ON0
 | | STRUCTURE OF N15 CRO COMPLEXED WITH CONSENSUS OPERATOR DNA | | Descriptor: | DNA (5'-D(*TP*TP*TP*AP*TP*AP*GP*CP*TP*AP*GP*CP*TP*AP*TP*AP*A)-3'), Gp39 | | Authors: | Hall, B.M, Roberts, S.A, Cordes, M.H.J. | | Deposit date: | 2019-04-19 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Extreme divergence between one-to-one orthologs: the structure of N15 Cro bound to operator DNA and its relationship to the lambda Cro complex.
Nucleic Acids Res., 47, 2019
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6AT5
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4C8O
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair dNaM-d5SICS at the postinsertion site (sequence context 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*GP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', 5'-D(*TP*TP*CP*BMNP*GP*CP*GP*CP*CP*GP*TP*GP*GP*CP)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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6CC1
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4C8K
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a partially closed complex with the artificial base pair d5SICS-dNaMTP | | Descriptor: | ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*AP*C*LHOP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4C8L
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the artificial base pair dNaM-d5SICS at the postinsertion site (sequence context 1) | | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', 5'-D(*AP*GP*BMNP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP)-3', DNA POLYMERASE I, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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6AT6
 | | Crystal structure of the KFJ5 TCR | | Descriptor: | T-cell receptor alpha variable 4, T-cell receptor, sp3.4 alpha chain chimera, ... | | Authors: | Gully, B.S, Rossjohn, J. | | Deposit date: | 2017-08-28 | | Release date: | 2018-02-28 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.417 Å) | | Cite: | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
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4E6C
 | | p38a-perifosine Complex | | Descriptor: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate, Mitogen-activated protein kinase 14 | | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | | Deposit date: | 2012-03-15 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
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4E8A
 | | The crystal structure of p38a MAP kinase in complex with PIA24 | | Descriptor: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 | | Authors: | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | | Deposit date: | 2012-03-20 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
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1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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4E5A
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4FBY
 | | fs X-ray diffraction of Photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Alonso-Mori, R, Hellmich, J, Tran, R, Hattne, J, Laksmono, H, Gloeckner, C, Echols, N, Sierra, R.G, Sellberg, J, Lassalle-Kaiser, B, Gildea, R.J, Glatzel, P, Grosse-Kunstleve, R.W, Latimer, M.J, Mcqueen, T.A, Difiore, D, Fry, A.R, Messerschmidt, M.M, Miahnahri, A, Schafer, D.W, Seibert, M.M, Sokaras, D, Weng, T.-C, Zwart, P.H, White, W.E, Adams, P.D, Bogan, M.J, Boutet, S, Williams, G.J, Messinger, J, Sauter, N.K, Zouni, A, Bergmann, U, Yano, J, Yachandra, V.K. | | Deposit date: | 2012-05-23 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (6.56 Å) | | Cite: | Room temperature femtosecond X-ray diffraction of photosystem II microcrystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4IXR
 | | RT fs X-ray diffraction of Photosystem II, first illuminated state | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | | Deposit date: | 2013-01-27 | | Release date: | 2013-02-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (5.9 Å) | | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature.
Science, 340, 2013
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