PDB: 20505 resultsInfo pagesStatus searchChemie searchBIRD

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4JXH	Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH 8.5 Descriptor: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION Authors: Hoh, F, Rouhana, J. Deposit date: 2013-03-28 Release date: 2013-10-23 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors J.Med.Chem., 56, 2013
3PGC	Crystal Structure of HLA-DR1 with CLIP106-120, flipped peptide orientation Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HLA class II histocompatibility antigen gamma chain, ... Authors: Gunther, S, Schlundt, A, Sticht, J, Roske, Y, Heinemann, U, Wiesmuller, K.-H, Jung, G, Falk, K, Rotzschke, O, Freund, C. Deposit date: 2010-11-01 Release date: 2010-12-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.66 Å) Cite: Bidirectional binding of invariant chain peptides to an MHC class II molecule. Proc.Natl.Acad.Sci.USA, 107, 2010
3PGD	Crystal Structure of HLA-DR1 with CLIP106-120, canonical peptide orientation Descriptor: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... Authors: Gunther, S, Schlundt, A, Sticht, J, Roske, Y, Heinemann, U, Wiesmuller, K.-H, Jung, G, Falk, K, Rotzschke, O, Freund, C. Deposit date: 2010-11-01 Release date: 2010-12-08 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.72 Å) Cite: Bidirectional binding of invariant chain peptides to an MHC class II molecule. Proc.Natl.Acad.Sci.USA, 107, 2010
3Q0W	ETHR From mycobacterium tuberculosis in complex with compound BDM33066 Descriptor: (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, GLYCEROL, HTH-type transcriptional regulator EthR Authors: Flipo, M, Desrose, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N. Deposit date: 2010-12-16 Release date: 2011-12-21 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2012
4JKN	Mercury Metallated Pseudomonas aeruginosa Azurin at 1.54 A Descriptor: Azurin, MERCURY (II) ION, NITRATE ION, ... Authors: Zampino, A.P, Masters, F.M, Bladholm, E.L, Berry, S.B, Panzner, M.J, Ziegler, C.J. Deposit date: 2013-03-10 Release date: 2014-02-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.536 Å) Cite: Mercury metallation of the copper protein azurin and structural insight into possible heavy metal reactivity. J.Inorg.Biochem., 141, 2014
4JKY	Cobalt between two ADP's in the active site of adenylate kinase Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, COBALT (II) ION Authors: Cho, Y.-J, Kern, D. Deposit date: 2013-03-12 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.373 Å) Cite: The energy landscape of adenylate kinase during catalysis. Nat.Struct.Mol.Biol., 22, 2015
4JLB	Crystal Structures of Adenylate kinase with 2ADP's Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase Authors: Cho, Y.-J, Kern, D. Deposit date: 2013-03-12 Release date: 2014-06-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.528 Å) Cite: The energy landscape of adenylate kinase during catalysis. Nat.Struct.Mol.Biol., 22, 2015
8QDF	Engineered LmrR with Met-89 replaced by para-boronophenylalanine Descriptor: Transcriptional regulator, PadR-like family Authors: Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G. Deposit date: 2023-08-29 Release date: 2024-05-01 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Boron catalysis in a designer enzyme. Nature, 629, 2024
8QDH	Engineered LmrR carrying a cyclic boronate ester formed between Tris and p-boronophenylalanine at position 89 Descriptor: GLYCEROL, Transcriptional regulator, PadR-like family Authors: Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G. Deposit date: 2023-08-29 Release date: 2024-05-01 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Boron catalysis in a designer enzyme. Nature, 629, 2024
4JZT	Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant) bound to GTP Descriptor: GUANOSINE-5'-TRIPHOSPHATE, dGTP pyrophosphohydrolase Authors: Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C. Deposit date: 2013-04-03 Release date: 2013-05-01 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates. Proc.Natl.Acad.Sci.USA, 110, 2013
8BVC	Solution structure of Metridium senile toxin Ms13-1 with the unique fold Descriptor: Ms13-1 Authors: Mineev, K.S, Arseniev, A.S, Andreev, Y.A, Osmakov, D.I, Khasanov, T.A. Deposit date: 2022-12-06 Release date: 2023-12-20 Method: SOLUTION NMR Cite: Solution structure of Metridium senile toxin Ms13-1 with the unique fold To Be Published
8Q3R	Cryo-EM structure of the DNA polymerase holoenzyme E9-A20-D4 of vaccinia virus Descriptor: DNA polymerase, DNA polymerase processivity factor component OPG148, Uracil-DNA glycosylase Authors: Burmeister, W.P, Ballandras-Colas, A, Boettcher, B, Grimm, C. Deposit date: 2023-08-04 Release date: 2024-05-08 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus. Plos Pathog., 20, 2024
4JZV	Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - second guanosine residue in guanosine binding pocket Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RNA (5'-R(*(GCP)P*G)-3'), ... Authors: Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C. Deposit date: 2013-04-03 Release date: 2013-05-08 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates. Proc.Natl.Acad.Sci.USA, 110, 2013
8QAM	vaccinia virus Uracil DNA glycosidase mutant I197K-V200E-L204K Descriptor: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase Authors: Tarbouriech, N, Burmeister, W.P. Deposit date: 2023-08-23 Release date: 2024-05-08 Last modified: 2024-06-05 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus. Plos Pathog., 20, 2024
6WMQ	Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide Descriptor: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Mosure, S.A, Shang, J, Kojetin, D.J. Deposit date: 2020-04-21 Release date: 2021-02-17 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta. Sci Adv, 7, 2021
3PZZ	Structure of an amyloid forming peptide GAIIGL (29-34) from amyloid beta Descriptor: Amyloid beta A4 protein Authors: Soriaga, A.B, Laganowsky, A.L, Sawaya, M.R, Eisenberg, D. Deposit date: 2010-12-14 Release date: 2011-10-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Molecular basis for amyloid-beta polymorphism. Proc.Natl.Acad.Sci.USA, 108, 2011
6WMS	Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID2 Peptide Descriptor: NCOR isoform c, Nuclear receptor Rev-ErbA beta variant 1, PROTOPORPHYRIN IX CONTAINING FE Authors: Mosure, S.A, Shang, J, Kojetin, D.J. Deposit date: 2020-04-21 Release date: 2021-02-17 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta. Sci Adv, 7, 2021
8A21	Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with phenylimidazole Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, GLYCEROL, ... Authors: Haufroid, M, Wouters, J. Deposit date: 2022-06-02 Release date: 2022-11-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach. Eur.J.Med.Chem., 245, 2022
8A1Z	Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium in complex with 1-(2,4-dichlorophenyl)-3-hydroxyurea Descriptor: 1-(2,4-dichlorophenyl)-3-oxidanyl-urea, CHLORIDE ION, MAGNESIUM ION, ... Authors: Haufroid, M, Wouters, J. Deposit date: 2022-06-02 Release date: 2022-11-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Targeting the phosphoserine phosphatase MtSerB2 for tuberculosis drug discovery, an hybrid knowledge based /fragment based approach. Eur.J.Med.Chem., 245, 2022
3OY5	The crystal structure of uPA complex with peptide inhibitor MH027 at pH7.4 Descriptor: MH027, SULFATE ION, Urokinase-type plasminogen activator Authors: Jiang, L.G, Andreasen, P.A, Huang, M.D. Deposit date: 2010-09-22 Release date: 2011-08-10 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.31 Å) Cite: The binding mechanism of a peptidic cyclic serine protease inhibitor J.Mol.Biol., 412, 2011
4GU4	Crystal structure of the T1L reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1 Authors: Reiss, K, Stehle, T. Deposit date: 2012-08-29 Release date: 2012-12-05 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3.5 Å) Cite: The GM2 Glycan Serves as a Functional Coreceptor for Serotype 1 Reovirus. Plos Pathog., 8, 2012
8B7T	CPSF73 CTD3 Descriptor: CPSF73 Authors: Thore, S, Mackereth, C. Deposit date: 2022-10-03 Release date: 2023-05-03 Last modified: 2023-12-06 Method: SOLUTION NMR Cite: Molecular details of the CPSF73-CPSF100 C-terminal heterodimer and interaction with Symplekin. Open Biology, 13, 2023
6W7O	Ternary complex structure - BTK cIAP compound 17 Descriptor: Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ZINC ION, ... Authors: Calabrese, M.F, Schiemer, J.S. Deposit date: 2020-03-19 Release date: 2020-11-18 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Structural Characterization of BTK:PROTAC:cIAP Ternary Complexes: From Snapshots to Ensembles Nat.Chem.Biol., 2020
6VSI	Crystal structure of FKBP12 of Candida auris Descriptor: Peptidylprolyl isomerase, SULFATE ION Authors: Li, Z, Li, H, Hernandez, G, LeMaster, D. Deposit date: 2020-02-11 Release date: 2020-04-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Crystal structure and transient dimerization for the FKBP12 protein from the pathogenic fungus Candida auris. Biochem.Biophys.Res.Commun., 525, 2020
3OW9	Structure of an amyloid forming peptide KLVFFA from amyloid beta, alternate polymorph II Descriptor: KLVFFA hexapeptide segment from Amyloid beta Authors: Landau, M, Eisenberg, D. Deposit date: 2010-09-17 Release date: 2011-08-31 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular basis for amyloid-{beta} polymorphism. Proc.Natl.Acad.Sci.USA, 108, 2011

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