PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6H7U	Crystal structure of a POT family transporter in complex with 5-aminolevulinic acid 分子名称: 5-azanyl-4-oxidanylidene-pentanoic acid, Peptide ABC transporter permease 著者 Minhas, G.S, Newstead, S. 登録日 2018-07-31 公開日 2018-12-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for prodrug recognition by the SLC15 family of proton-coupled peptide transporters. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5TKQ	Crystal structure of human 3HAO with zinc bound in the active site 分子名称: 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION 著者 Pidugu, L.S, Toth, E.A. 登録日 2016-10-07 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 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) 分子名称: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 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. 登録日 2020-05-13 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
7RFB	Crystal structure of broadly neutralizing antibody mAb1198 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain 分子名称: 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, ... 著者 Flyak, A.I, Bjorkman, P.J. 登録日 2021-07-14 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization. Immunity, 55, 2022
6ZLN	CLK1 bound with GW807982X (Cpd 8) 分子名称: 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 著者 Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-06-30 公開日 2020-08-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
8T9U	Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG) 分子名称: 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, ... 著者 Terrell, J.R, Poon, G.M.K. 登録日 2023-06-26 公開日 2023-11-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
5TFZ	Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with nickel and diacrylate 分子名称: 3-(acryloyloxy)propanoic acid, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... 著者 Schnicker, N.J, Dey, M. 登録日 2016-09-27 公開日 2017-06-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter. Biochemistry, 56, 2017
6KAJ	Crystal structure of FKRP in complex with Ba ion 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, CYTIDINE-5'-DIPHOSPHATE, ... 著者 Kuwabara, N. 登録日 2019-06-23 公開日 2020-01-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.2249 Å) 主引用文献 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 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycoprotein, ... 著者 Cohen-Dvashi, H, Kilimnik, I, Diskin, R. 登録日 2018-05-06 公開日 2018-07-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Structural basis for receptor recognition by Lujo virus. Nat Microbiol, 3, 2018
7RN7	Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO 分子名称: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 McCue, W, Finzel, B.C. 登録日 2021-07-29 公開日 2022-01-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 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
6K20	Structure of Apo YdiU 分子名称: MAGNESIUM ION, Protein adenylyltransferase SelO 著者 Li, B, Yang, Y, Ma, Y. 登録日 2019-05-13 公開日 2020-05-13 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Structure of Apo-YdiU To Be Published
7RNB	Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO 分子名称: Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 McCue, W, Finzel, B.C. 登録日 2021-07-29 公開日 2022-01-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 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
7JZB	Dihydrodipicolinate synthase S48W with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-01 公開日 2021-09-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
6KB7	X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by delipidation and cross-seeding 分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2019-06-24 公開日 2020-11-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 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 分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ... 著者 Filippova, E.V, Kossiakoff, A.A. 登録日 2023-06-12 公開日 2023-11-29 最終更新日 2024-01-03 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
7RIW	RNA polymerase II elongation complex scaffold 2, without polyamide 分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... 著者 Oh, J, Dervan, P.B, Wang, D. 登録日 2021-07-20 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 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
5TGH	Structure of the SNX5 PX domain in complex with chlamydial protein IncE in space group P32 分子名称: IncE, Sorting nexin-5 著者 Collins, B, Paul, B. 登録日 2016-09-27 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural basis for the hijacking of endosomal sorting nexin proteins byChlamydia trachomatis. Elife, 6, 2017
7RN9	Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO 分子名称: Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 McCue, W, Finzel, B.C. 登録日 2021-07-29 公開日 2022-01-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 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
7JZC	Dihydrodipicolinate synthase S48W mutant with lysine in the allosteric site, and pyruvate in the catalytic site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
7JZD	Dihydrodipicolinate synthase mutation S48W with Lysine in the allosteric site 分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION 著者 Board, A.J, Dobson, R.C.J. 登録日 2020-09-02 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Mapping the uncharted water channel of DHDPS To Be Published
8B5P	Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 10 分子名称: 14-3-3 protein sigma, 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... 著者 Somsen, B.A, Ottmann, C. 登録日 2022-09-23 公開日 2023-03-29 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 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
6OUJ	Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A 分子名称: 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Kota, A, McKenna, R. 登録日 2019-05-04 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.466 Å) 主引用文献 Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A To Be Published
6Z2V	CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) 分子名称: (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, ... 著者 Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-05-18 公開日 2020-07-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
7RNF	Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO 分子名称: Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 著者 McCue, W, Finzel, B.C. 登録日 2021-07-29 公開日 2022-01-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 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
6KBP	Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate 分子名称: ACETATE ION, BENZOIC ACID, D-amino-acid oxidase, ... 著者 Rachadech, W, Kato, Y, Maita, N, Fukui, K. 登録日 2019-06-26 公開日 2020-07-08 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of human D-amino acid oxidase mutant (P219L) complexed with benzoate To Be Published

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