4WRQ
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8G0F
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8G0G
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![BU of 8g0g by Molmil](/molmil-images/mine/8g0g) | Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 4.5) | Descriptor: | ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, Diphtheria toxin | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S. | Deposit date: | 2023-01-31 | Release date: | 2023-07-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain. Toxins, 15, 2023
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4UX9
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![BU of 4ux9 by Molmil](/molmil-images/mine/4ux9) | Crystal structure of JNK1 bound to a MKK7 docking motif | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M. | Deposit date: | 2014-08-20 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Dynamics of the Mkk7-Jnk Signaling Complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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4WAA
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![BU of 4waa by Molmil](/molmil-images/mine/4waa) | Crystal structure of Nix LIR-fused human LC3B_2-119 | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Suzuki, H, Ravichandran, A.C, Dobson, R.C.J, Novak, I, Wakatsuki, S. | Deposit date: | 2014-08-29 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Phosphorylation of the mitochondrial autophagy receptor Nix enhances its interaction with LC3 proteins. Sci Rep, 7, 2017
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4KCT
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![BU of 4kct by Molmil](/molmil-images/mine/4kct) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with Oxaloacetate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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4KCV
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![BU of 4kcv by Molmil](/molmil-images/mine/4kcv) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 2-OXOGLUTARIC ACID, GLYCEROL, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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4KNW
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4KCU
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![BU of 4kcu by Molmil](/molmil-images/mine/4kcu) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with D-Malate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, D-MALATE, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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4KNV
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![BU of 4knv by Molmil](/molmil-images/mine/4knv) | The crystal structure of APO HUMAN HDHD4 FROM SE-MAD | Descriptor: | MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION | Authors: | Klei, H.E. | Deposit date: | 2013-05-10 | Release date: | 2013-06-26 | Last modified: | 2013-07-10 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex. Bioorg.Med.Chem.Lett., 23, 2013
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4KCW
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![BU of 4kcw by Molmil](/molmil-images/mine/4kcw) | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2013-04-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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3LUO
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![BU of 3luo by Molmil](/molmil-images/mine/3luo) | Crystal Structure and functional characterization of the thermophilic prolyl isomerase and chaperone SlyD | Descriptor: | Peptidyl-prolyl cis-trans isomerase, Suc-Ala-Leu-Pro-Phe-pNA, ZINC ION | Authors: | Loew, C, Neumann, P, Weininger, U, Stubbs, M.T, Balbach, J. | Deposit date: | 2010-02-18 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus J.Mol.Biol., 398, 2010
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3MHB
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![BU of 3mhb by Molmil](/molmil-images/mine/3mhb) | Crystal structure of Staphylococcal nuclease variant Delta+PHS L38A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | Deposit date: | 2010-04-07 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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3MEH
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![BU of 3meh by Molmil](/molmil-images/mine/3meh) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | Deposit date: | 2010-03-31 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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7M98
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![BU of 7m98 by Molmil](/molmil-images/mine/7m98) | ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4 | Authors: | Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C. | Deposit date: | 2021-03-30 | Release date: | 2021-09-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain. Int J Mol Sci, 22, 2021
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3POK
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![BU of 3pok by Molmil](/molmil-images/mine/3pok) | Interleukin-1-beta LBT L3 Mutant | Descriptor: | Interleukin-1 beta | Authors: | Barthelmes, K, Reynolds, A.M, Peisach, E, Jonker, H.R.A, DeNunzio, N.J, Allen, K.N, Imperiali, B, Schwalbe, H. | Deposit date: | 2010-11-22 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering encodable lanthanide-binding tags into loop regions of proteins. J.Am.Chem.Soc., 133, 2011
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8BWG
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![BU of 8bwg by Molmil](/molmil-images/mine/8bwg) | HRas (1-166) Y64 phosphorylation | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Baumann, P, Jin, Y. | Deposit date: | 2022-12-06 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes. Commun Chem, 7, 2024
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8T5X
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![BU of 8t5x by Molmil](/molmil-images/mine/8t5x) | Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T) | Descriptor: | Transthyretin | Authors: | Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E. | Deposit date: | 2023-06-14 | Release date: | 2023-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant. J.Am.Chem.Soc., 146, 2024
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4XID
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![BU of 4xid by Molmil](/molmil-images/mine/4xid) | AntpHD with 15bp DNA duplex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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4P6L
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4XIC
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![BU of 4xic by Molmil](/molmil-images/mine/4xic) | ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | Deposit date: | 2015-01-06 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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4RGB
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![BU of 4rgb by Molmil](/molmil-images/mine/4rgb) | |
3OEC
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![BU of 3oec by Molmil](/molmil-images/mine/3oec) | |
3PGX
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6QGE
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![BU of 6qge by Molmil](/molmil-images/mine/6qge) | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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