PDB: 30867 resultsInfo pagesStatus searchChemie searchBIRD

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6H7U	Crystal structure of a POT family transporter in complex with 5-aminolevulinic acid Descriptor: 5-azanyl-4-oxidanylidene-pentanoic acid, Peptide ABC transporter permease Authors: Minhas, G.S, Newstead, S. Deposit date: 2018-07-31 Release date: 2018-12-26 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7RFB	Crystal structure of broadly neutralizing antibody mAb1198 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Flyak, A.I, Bjorkman, P.J. Deposit date: 2021-07-14 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization. Immunity, 55, 2022
5TKQ	Crystal structure of human 3HAO with zinc bound in the active site Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION Authors: Pidugu, L.S, Toth, E.A. Deposit date: 2016-10-07 Release date: 2017-04-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
6Z1H	Ancestral glycosidase (family 1) Descriptor: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. Deposit date: 2020-05-13 Release date: 2020-07-22 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
6ZLN	CLK1 bound with GW807982X (Cpd 8) Descriptor: 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 Authors: Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2020-06-30 Release date: 2020-08-26 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
6KAJ	Crystal structure of FKRP in complex with Ba ion Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, CYTIDINE-5'-DIPHOSPHATE, ... Authors: Kuwabara, N. Deposit date: 2019-06-23 Release date: 2020-01-29 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.2249 Å) Cite: Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy. Nat Commun, 11, 2020
6GH8	Crystal structure of GP1 domain of Lujo virus in complex with the first CUB domain of neuropilin-2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycoprotein, ... Authors: Cohen-Dvashi, H, Kilimnik, I, Diskin, R. Deposit date: 2018-05-06 Release date: 2018-07-25 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Structural basis for receptor recognition by Lujo virus. Nat Microbiol, 3, 2018
8T9U	Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG) Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... Authors: Terrell, J.R, Poon, G.M.K. Deposit date: 2023-06-26 Release date: 2023-11-29 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
7RN7	Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO Descriptor: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
5TFZ	Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate Descriptor: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... Authors: Schnicker, N.J, Dey, M. Deposit date: 2016-09-27 Release date: 2017-06-14 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter. Biochemistry, 56, 2017
6K20	Structure of Apo YdiU Descriptor: MAGNESIUM ION, Protein adenylyltransferase SelO Authors: Li, B, Yang, Y, Ma, Y. Deposit date: 2019-05-13 Release date: 2020-05-13 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Structure of Apo-YdiU To Be Published
7RNB	Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO Descriptor: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
6KB7	X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by delipidation and cross-seeding Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha Authors: Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. Deposit date: 2019-06-24 Release date: 2020-11-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.14 Å) Cite: PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
8T58	Structure of VHH-Fab complex with engineered FNQIKG elbow region Descriptor: CHLORIDE ION, Fab heavy chain, Fab light chain, ... Authors: Filippova, E.V, Kossiakoff, A.A. Deposit date: 2023-06-12 Release date: 2023-11-29 Last modified: 2024-01-03 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
7JZB	Dihydrodipicolinate synthase S48W with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION Authors: Board, A.J, Dobson, R.C.J. Deposit date: 2020-09-01 Release date: 2021-09-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Mapping the uncharted water channel of DHDPS To Be Published
7RIW	RNA polymerase II elongation complex scaffold 2, without polyamide Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... Authors: Oh, J, Dervan, P.B, Wang, D. Deposit date: 2021-07-20 Release date: 2022-01-12 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.2 Å) Cite: RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
7RN9	Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO Descriptor: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
5TGH	Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P32 Descriptor: IncE, Sorting nexin-5 Authors: Collins, B, Paul, B. Deposit date: 2016-09-27 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis. Elife, 6, 2017
7JZC	Dihydrodipicolinate synthase S48W mutant with lysine in the allosteric site, and pyruvate in the catalytic site Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, POTASSIUM ION Authors: Board, A.J, Dobson, R.C.J. Deposit date: 2020-09-02 Release date: 2021-09-22 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Mapping the uncharted water channel of DHDPS To Be Published
6OUJ	Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A Descriptor: 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Kota, A, McKenna, R. Deposit date: 2019-05-04 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.466 Å) Cite: Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A To Be Published
7JZD	Dihydrodipicolinate synthase mutation S48W with Lysine in the allosteric site Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION Authors: Board, A.J, Dobson, R.C.J. Deposit date: 2020-09-02 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Mapping the uncharted water channel of DHDPS To Be Published
7RNF	Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO Descriptor: Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
8B5P	Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 10 Descriptor: 14-3-3 protein sigma, 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... Authors: Somsen, B.A, Ottmann, C. Deposit date: 2022-09-23 Release date: 2023-03-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc., 145, 2023
6Z2V	CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) Descriptor: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... Authors: Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2020-05-18 Release date: 2020-07-29 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
6KBP	Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate Descriptor: ACETATE ION, BENZOIC ACID, D-amino-acid oxidase, ... Authors: Rachadech, W, Kato, Y, Maita, N, Fukui, K. Deposit date: 2019-06-26 Release date: 2020-07-08 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate To Be Published

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