1N5J
 
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION) | | Descriptor: | MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | | Deposit date: | 2002-11-06 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway
J.Mol.Biol., 327, 2003
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1N5I
 | | CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ... | | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | | Deposit date: | 2002-11-06 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway
J.Mol.Biol., 327, 2003
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1N5K
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A) | | Descriptor: | ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | | Deposit date: | 2002-11-06 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway
J.Mol.Biol., 375, 2003
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1N5L
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION) | | Descriptor: | ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | | Deposit date: | 2002-11-06 | | Release date: | 2003-04-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway
J.Mol.Biol., 375, 2003
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7R35
 | | Difference-refined structure of fatty acid photodecarboxylase 300 ns following 400-nm laser irradiation of the dark-state determined by SFX | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, W. | | Deposit date: | 2022-02-06 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned.
Acta Crystallogr D Struct Biol, 78, 2022
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6VI3
 | | Straight Filament from Alzheimer's Disease Human Brain Tissue | | Descriptor: | GLYCINE, Microtubule-associated protein tau | | Authors: | Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P. | | Deposit date: | 2020-01-11 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains
Cell, 180, 2020
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5IKX
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5IWG
 | | HDAC2 WITH LIGAND BRD4884 | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Steinbacher, S. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
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1SHC
 | | SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | SHC, TRKA RECEPTOR PHOSPHOPEPTIDE | | Authors: | Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W. | | Deposit date: | 1996-03-27 | | Release date: | 1997-05-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
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7QG0
 | | Inhibitor-induced hSARM1 duplex | | Descriptor: | NAD(+) hydrolase SARM1 | | Authors: | Zalk, R, Kahzma, T, Guez-Haddad, J. | | Deposit date: | 2021-12-07 | | Release date: | 2022-12-21 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.02 Å) | | Cite: | A duplex structure of SARM1 octamers stabilized by a new inhibitor.
Cell.Mol.Life Sci., 80, 2022
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4D65
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4D64
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4PBE
 | | Phosphotriesterase Variant Rev6 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ... | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-12 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4PBF
 | | Phosphotriesterase variant Rev12 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ... | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-12 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4PCN
 | | Phosphotriesterase variant R22 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-04-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4PCP
 | | Crystal structure of Phosphotriesterase variant R0 | | Descriptor: | CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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5DPZ
 | | Endothiapepsin in complex with fragment 31 | | Descriptor: | 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.328 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7AMF
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7AMB
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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1U6Q
 | | Substituted 2-Naphthamadine inhibitors of Urokinase | | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | | Authors: | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | | Deposit date: | 2004-07-30 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
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6EZ2
 | | Human butyrylcholinesterase carbamylated. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model.
Commun Chem, 2019
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4XAG
 | | Cycles of destabilization and repair underlie the evolution of new enzyme function | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-14 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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4XD3
 | | Phosphotriesterase variant E3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-19 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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