PDB: 242842 resultsInfo pagesStatus searchChemie searchBIRD

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6DOD	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 360 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.535 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DP3	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.461 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7D86	Crystal Structure of zebrafishPHF14-PZP Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHD finger protein 14, ... Authors: Li, H, Zheng, S. Deposit date: 2020-10-07 Release date: 2021-07-28 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14. Nucleic Acids Res., 49, 2021
5C0J	HLA-A02 carrying RQFGPDWIVA Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... Authors: Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. Deposit date: 2015-06-12 Release date: 2016-05-04 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
7DTN	Crystal structure of metallo-beta-lactamase IMP-1 mutant (D120E) in complex with citrate. Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, Metallo-beta-lactamase type 2, ... Authors: Yamaguchi, Y, Kurosaki, H. Deposit date: 2021-01-06 Release date: 2021-08-04 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal Structures of Metallo-beta-Lactamase (IMP-1) and Its D120E Mutant in Complexes with Citrate and the Inhibitory Effect of the Benzyl Group in Citrate Monobenzyl Ester. J.Med.Chem., 64, 2021
6DOH	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soak in 0.5 mM EGTA and 200 mM K+ at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.363 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
3KM6	Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate Descriptor: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ... Authors: Parker, L.J. Deposit date: 2009-11-10 Release date: 2010-03-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Diuretic drug binding to human glutathione transferase P1-1: potential role of Cys-101 revealed in the double mutant C47S/Y108V. J.Mol.Recognit., 24
5CBS	Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution Descriptor: (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Frydenvang, K, Kastrup, J.S. Deposit date: 2015-07-01 Release date: 2015-12-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors. J.Med.Chem., 59, 2016
5JEG	Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION Authors: Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. Deposit date: 2016-04-18 Release date: 2017-01-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
3KHS	Crystal structure of grouper iridovirus purine nucleoside phosphorylase Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase Authors: Kang, Y.N, Zhang, Y, Allan, P.W, Parker, W.B, Ting, J.W, Chang, C.Y, Ealick, S.E. Deposit date: 2009-10-30 Release date: 2010-02-16 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Structure of grouper iridovirus purine nucleoside phosphorylase Acta Crystallogr.,Sect.D, 66, 2010
5IWC	Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] Descriptor: 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE Authors: Schnell, R, Maric, S, Lindqvist, Y, Schneider, G. Deposit date: 2016-03-22 Release date: 2016-08-17 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
5C3H	Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 Descriptor: 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION Authors: Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. Deposit date: 2015-06-17 Release date: 2015-08-12 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
6DP1	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOC	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 240 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.496 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DP0	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2.5 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.451 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPJ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 80 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
5JAN	Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening Descriptor: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ... Authors: Day, P.J. Deposit date: 2016-04-12 Release date: 2016-05-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening. J.Med.Chem., 59, 2016
2XHN	Rhamnogalacturonan lyase from Aspergillus aculeatus K150A active site mutant Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, RHAMNOGALACTURONASE B, ... Authors: Jensen, M.H, Otten, H, Christensen, U, Borchert, T.V, Christensen, L.L.H, Larsen, S, Lo Leggio, L. Deposit date: 2010-06-18 Release date: 2010-09-29 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus Aculeatus. J.Mol.Biol., 404, 2010
1XY8	NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 Descriptor: SST1-selective somatosatin analog Authors: Grace, C.R.R, Durrer, L, Koerber, S.C, Erchegyi, J, Reubi, J.C, Rivier, J.E, Riek, R. Deposit date: 2004-11-09 Release date: 2005-02-15 Last modified: 2022-03-02 Method: SOLUTION NMR Cite: Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR J.Med.Chem., 48, 2005
5C0F	HLA-A02 carrying RQWGPDPAAV Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, ... Authors: Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. Deposit date: 2015-06-12 Release date: 2016-05-04 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.463 Å) Cite: Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
7ZZO	HDAC2 in complex with an inhibitor Descriptor: 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Cleasby, A, Tisi, D. Deposit date: 2022-05-25 Release date: 2022-09-21 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2 Å) Cite: Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
5FKR	Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ... Authors: Attia, M, Stepper, J, Davies, G.J, Brumer, H. Deposit date: 2015-10-19 Release date: 2015-11-25 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation. FEBS J., 283, 2016
5C0B	1E6 TCR in complex with HLA-A02 carrying RQFGPDFPTI Descriptor: 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... Authors: Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. Deposit date: 2015-06-12 Release date: 2016-05-04 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
1BYX	CHIMERIC HYBRID DUPLEX R(GCAGUGGC).R(GCCA)D(CTGC) COMPRISING THE TRNA-DNA JUNCTION FORMED DURING INITIATION OF HIV-1 REVERSE TRANSCRIPTION Descriptor: DNA/RNA (5'-R(*GP*CP*CP*A)-D(P*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3') Authors: Szyperski, T, Goette, M, Billeter, M, Perola, E, Cellai, L. Deposit date: 1998-10-20 Release date: 1999-10-20 Last modified: 2023-12-27 Method: SOLUTION NMR Cite: NMR structure of the chimeric hybrid duplex r(gcaguggc).r(gcca)d(CTGC) comprising the tRNA-DNA junction formed during initiation of HIV-1 reverse transcription. J.Biomol.NMR, 13, 1999
5C0V	Structure of the LARP1-unique domain DM15 Descriptor: La-related protein 1, SULFATE ION Authors: Lahr, R.M, Berman, A.J. Deposit date: 2015-06-12 Release date: 2015-08-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The La-related protein 1-specific domain repurposes HEAT-like repeats to directly bind a 5'TOP sequence. Nucleic Acids Res., 43, 2015

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