1D46
| DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | Deposit date: | 1991-06-04 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G. Biochemistry, 30, 1991
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3ZYZ
| Crystal structure of a glycoside hydrolase family 3 beta-glucosidase, Bgl1 from Hypocrea jecorina at 2.1A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCOSIDE GLUCOHYDROLASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sandgren, M, Kaper, T, Mikkelsen, N.E, Hansson, H, Piens, K, Gudmundsson, M, Larenas, E, Kelemen, B, Karkehabadi, S. | Deposit date: | 2011-08-30 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical Characterization and Crystal Structures of a Fungal Family 3 Beta-Glucosidase, Cel3A from Hypocrea Jecorina. J.Biol.Chem., 289, 2014
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5M7W
| Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2) | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2) To Be Published
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4YET
| X-ray crystal structure of superoxide dismutase from Babesia bovis solved by Sulfur SAD | Descriptor: | FE (III) ION, Superoxide dismutase | Authors: | Fairman, J.W, Clifton, M.C, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2015-02-24 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Iron superoxide dismutases in eukaryotic pathogens: new insights from Apicomplexa and Trypanosoma structures. Acta Crystallogr.,Sect.F, 71, 2015
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6S88
| Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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8W1V
| The beta2 adrenergic receptor bound to a bitopic ligand | Descriptor: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | Authors: | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | Deposit date: | 2024-02-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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2EZV
| Crystal structure of tetrameric restriction endonuclease SfiI bound to cognate DNA. | Descriptor: | 5'-D(*AP*GP*GP*CP*CP*TP*TP*GP*TP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*AP*CP*AP*AP*GP*GP*CP*CP*T)-3', CALCIUM ION, ... | Authors: | Aggarwal, A.K, Vanamee, E.S, Viadiu, H. | Deposit date: | 2005-11-10 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A view of consecutive binding events from structures of tetrameric endonuclease SfiI bound to DNA Embo J., 24, 2005
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5L2X
| Crystal structure of human PrimPol ternary complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*GP*TP*AP*GP*CP*(DDG))-3'), ... | Authors: | Rechkoblit, O, Gupta, Y.K, Malik, R, Rajashankar, K.R, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | Deposit date: | 2016-08-02 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and mechanism of human PrimPol, a DNA polymerase with primase activity. Sci Adv, 2, 2016
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5M6X
| Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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8WKZ
| Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31 | Descriptor: | CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ... | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | Deposit date: | 2023-09-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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5M7X
| Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1) | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1) To Be Published
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2I5B
| The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parralel emergence of enzyme activity during evolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphomethylpyrimidine kinase | Authors: | Newman, J.A, Das, S.K, Sedelnikova, S.E, Rice, D.W. | Deposit date: | 2006-08-24 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of an ADP Complex of Bacillus subtilis Pyridoxal Kinase Provides Evidence for the Parallel Emergence of Enzyme Activity During Evolution. J.Mol.Biol., 363, 2006
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5M8B
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2FIB
| RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) COMPLEXED TO THE PEPTIDE GLY-PRO-ARG-PRO AT PH 6.0 | Descriptor: | CALCIUM ION, FIBRINOGEN, GLY-PRO-ARG-PRO | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | Deposit date: | 1997-06-03 | Release date: | 1997-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro. Proc.Natl.Acad.Sci.USA, 94, 1997
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5MI7
| BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc | Descriptor: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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4Y8T
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5J5Z
| Crystal structure of the D444V disease-causing mutant of the human dihydrolipoamide dehydrogenase | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Szabo, E, Mizsei, R, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2016-04-04 | Release date: | 2017-11-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. Free Radic. Biol. Med., 124, 2018
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1W20
| Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 291 K | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2004-06-24 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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6HEB
| Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern). | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
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5VKR
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1PN9
| Crystal structure of an insect delta-class glutathione S-transferase from a DDT-resistant strain of the malaria vector Anopheles gambiae | Descriptor: | Glutathione S-transferase 1-6, S-HEXYLGLUTATHIONE | Authors: | Chen, L, Hall, P.R, Zhou, X.E, Ranson, H, Hemingway, J, Meehan, E.J. | Deposit date: | 2003-06-12 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of an insect delta-class glutathione S-transferase from a DDT-resistant strain of the malaria vector Anopheles gambiae. Acta Crystallogr.,Sect.D, 59, 2003
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1HLU
| STRUCTURE OF BOVINE BETA-ACTIN-PROFILIN COMPLEX WITH ACTIN BOUND ATP PHOSPHATES SOLVENT ACCESSIBLE | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-ACTIN, CALCIUM ION, ... | Authors: | Chik, J.K, Lindberg, U, Schutt, C.E. | Deposit date: | 1997-05-30 | Release date: | 1997-10-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The structure of an open state of beta-actin at 2.65 A resolution. J.Mol.Biol., 263, 1996
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6S7S
| Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-phenylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6BUW
| Thermus thermophilus 70S complex containing 16S G299A ram mutation and empty A site. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M. | Deposit date: | 2017-12-11 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscoding. Nucleic Acids Res., 47, 2019
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5LPN
| Structure of human Rab10 in complex with the bMERB domain of Mical-1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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