7FJH
 
 | | LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1) | | Descriptor: | CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin | | Authors: | Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C. | | Deposit date: | 2021-08-04 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Targeting undruggable carbohydrate recognition sites through focused fragment library design.
Commun Chem, 5, 2022
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6EX4
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1WT6
 | | Coiled-Coil domain of DMPK | | Descriptor: | Myotonin-protein kinase | | Authors: | Garcia, P, Marino, M, Mayans, O. | | Deposit date: | 2004-11-16 | | Release date: | 2005-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insights into the self-assembly mechanism of dystrophia myotonica kinase
Faseb J., 20, 2006
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1HYN
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2PVO
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7EIV
 | | heterotetrameric glycyl-tRNA synthetase from Escherichia coli | | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | | Authors: | Ju, Y, Zhou, H. | | Deposit date: | 2021-03-31 | | Release date: | 2021-08-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications.
Nucleic Acids Res., 49, 2021
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6E1V
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 3: 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine | | Descriptor: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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4MQ1
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-11 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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6E1W
 | | Crystal structure of a class I PreQ1 riboswitch complexed with PreQ1 | | Descriptor: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1S
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1T
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, MAGNESIUM ION, ... | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1U
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 2: 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine | | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine, MAGNESIUM ION, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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1QTM
 | | DDTTP-TRAPPED CLOSED TERNARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM THERMUS AQUATICUS | | Descriptor: | 5'-D(*AP*AP*AP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DT))-3', DNA POLYMERASE I, ... | | Authors: | Li, Y, Mitaxov, V, Waksman, G. | | Deposit date: | 1999-06-28 | | Release date: | 1999-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design of Taq DNA polymerases with improved properties of dideoxynucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1G75
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG): 5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION | | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2000-11-09 | | Release date: | 2001-02-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
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1EFL
 | | HUMAN MALIC ENZYME IN A QUATERNARY COMPLEX WITH NAD, MG, AND TARTRONATE | | Descriptor: | MAGNESIUM ION, MALIC ENZYME, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yang, Z, Floyd, D.L, Loeber, G, Tong, L. | | Deposit date: | 2000-02-09 | | Release date: | 2000-03-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a closed form of human malic enzyme and implications for catalytic mechanism.
Nat.Struct.Biol., 7, 2000
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6EUE
 | | Rivastigmine analogue bound to Tc ACHE. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2 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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1GGI
 | | CRYSTAL STRUCTURE OF AN HIV-1 NEUTRALIZING ANTIBODY 50.1 IN COMPLEX WITH ITS V3 LOOP PEPTIDE ANTIGEN | | Descriptor: | HIV-1 V3 LOOP PEPTIDE ANTIGEN, IGG2A 50.1 FAB (HEAVY CHAIN), IGG2A 50.1 FAB (LIGHT CHAIN) | | Authors: | Stanfield, R.L, Rini, J.M, Wilson, I.A. | | Deposit date: | 1993-04-02 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a human immunodeficiency virus type 1 neutralizing antibody, 50.1, in complex with its V3 loop peptide antigen.
Proc.Natl.Acad.Sci.USA, 90, 1993
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3FUU
 | | T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in complex with Adenosine in space group P212121 | | Descriptor: | ADENOSINE, Dimethyladenosine transferase | | Authors: | Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2009-01-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
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3I1Y
 | | Crystal Structure of soluble epoxide Hydrolase | | Descriptor: | Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide | | Authors: | Farrow, N.A. | | Deposit date: | 2009-06-28 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.469 Å) | | Cite: | Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
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3FUX
 | | T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in complex with 5'-methylthioadenosine in space group P212121 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Dimethyladenosine transferase | | Authors: | Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2009-01-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
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3HP3
 | | Crystal structure of CXCL12 | | Descriptor: | CXCL12 protein, GOLD ION | | Authors: | Murphy, J.W, Lolis, E, Xiong, Y, Yuan, H, Crichlow, G. | | Deposit date: | 2009-06-03 | | Release date: | 2010-01-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family
Proteins, 78, 2009
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3FUT
 | | Apo-form of T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in space group P21212 | | Descriptor: | Dimethyladenosine transferase | | Authors: | Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2009-01-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
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4LTA
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2Q66
 | | Structure of Yeast Poly(A) Polymerase with ATP and oligo(A) | | Descriptor: | 1,2-ETHANEDIOL, 5'-R(P*AP*AP*AP*AP*A)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Bohm, A, Balbo, P. | | Deposit date: | 2007-06-04 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of poly(A) polymerase: structure of the enzyme-MgATP-RNA ternary complex and kinetic analysis.
Structure, 15, 2007
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3FUW
 | | T. thermophilus 16S rRNA A1518 and A1519 methyltransferase (KsgA) in complex with 5'-methylthioadenosine in space group P212121 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Dimethyladenosine transferase | | Authors: | Demirci, H, Belardinelli, R, Seri, E, Gregory, S.T, Gualerzi, C, Dahlberg, A.E, Jogl, G. | | Deposit date: | 2009-01-14 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural rearrangements in the active site of the Thermus thermophilus 16S rRNA methyltransferase KsgA in a binary complex with 5'-methylthioadenosine.
J.Mol.Biol., 388, 2009
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