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

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6R5O	The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules 分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2019-03-25 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020
7QZ5	Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp 分子名称: Transcriptional regulator, PadR-like family 著者 Thunnissen, A.M.W.H. 登録日 2022-01-30 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach. J.Am.Chem.Soc., 144, 2022
8BPV	Crystal structure of JAK2 JH1 in complex with pacritinib 分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 著者 Miao, Y, Haikarainen, T. 登録日 2022-11-18 公開日 2023-11-29 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
5FMB	Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and HEPES buffer 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2015-11-02 公開日 2016-02-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem., 291, 2016
8BJ0	Crystal structure of Scribble PDZ1 with PTHR 分子名称: CHLORIDE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog 著者 Stewart, B.Z, Kvansakul, M. 登録日 2022-11-03 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published
5FTZ	AA10 lytic polysaccharide monooxygenase (LPMO) from Streptomyces lividans 分子名称: CHITIN BINDING PROTEIN, COPPER (II) ION 著者 Chaplin, A.K.C, Wilson, M.T, Hough, M.A, Svistunenko, D.A, Hemsworth, G.R, Walton, P.H, Vijgenboom, E, Worrall, J.A.R. 登録日 2016-01-19 公開日 2016-04-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Heterogeneity in the Histidine-Brace Copper Coordination Sphere in Aa10 Lytic Polysaccharide Monooxygenases. J.Biol.Chem., 291, 2016
6R62	Crystal structure of a class II pyruvate aldolase from Sphingomonas wittichii RW1 in complex with hydroxypyruvate 分子名称: 3-HYDROXYPYRUVIC ACID, ACETATE ION, BROMIDE ION, ... 著者 Marsden, S.R, Mestrom, L, Hagedoorn, P.L, Bento, I, McMillan, D.G.G, Hanefeld, U. 登録日 2019-03-26 公開日 2019-05-29 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 CH-Pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase Adv.Synth.Catal., 2019
8T0O	Fab from mAb RB2AT_87 分子名称: CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain 著者 Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S. 登録日 2023-06-01 公開日 2024-03-27 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta. Pept Sci (Hoboken), 116, 2024
6G25	X-ray structure of NSD3-PWWP1 in complex with compound 4 分子名称: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 著者 Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. 登録日 2018-03-22 公開日 2019-06-26 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.432 Å) 主引用文献 Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
7QZZ	ATAD2 in complex with FragLite31 分子名称: 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-02-01 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
8BQ3	Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide 分子名称: PRO-LEU-PRO, Proto-oncogene tyrosine-protein kinase Src 著者 Varejao, N, Navarro, S, Ventura, S, Reverter, D. 登録日 2022-11-18 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide To Be Published
7R00	ATAD2 in complex with FragLite33 分子名称: 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-02-01 公開日 2022-12-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
8TNT	Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ... 著者 Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. 登録日 2023-08-02 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells. Immunity, 57, 2024
6G2B	X-ray structure of NSD3-PWWP1 in complex with compound 8 分子名称: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 著者 Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. 登録日 2018-03-22 公開日 2019-06-26 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
7M7D	Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 分子名称: (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE 著者 Leonard, P.G, Cross, J.B. 登録日 2021-03-27 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
6K7R	Crystal structure of thymidylate synthase from shrimp 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase 著者 Ma, Q, Zang, K, Liu, C. 登録日 2019-06-08 公開日 2020-06-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
7R3H	PROSS optimitzed variant of RhlR (75 mutations) in complex with native autoinducer C4-HSL 分子名称: N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, PROSS optimized variant of RhlR with 75 mutations 著者 Henke, S, Blankenfeldt, W. 登録日 2022-02-07 公開日 2022-12-14 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa. Nat Commun, 13, 2022
8TD0	Structure of PYCR1 complexed with 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid 分子名称: (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
5FJ4	Structure of the standard kink turn HmKt-7 as stem loop bound with U1A and L7Ae proteins 分子名称: 50S RIBOSOMAL PROTEIN L7AE, HMKT-7, U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A 著者 Huang, L, Lilley, D.M.J. 登録日 2015-10-06 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function. Nucleic Acids Res., 44, 2016
8BOW	X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 分子名称: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Motlova, L, Barinka, C, Benesova, M. 登録日 2022-11-15 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 To Be Published
7M63	Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 分子名称: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 著者 Leonard, P.G, Cross, J.B. 登録日 2021-03-25 公開日 2021-09-01 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
5FRA	CBM40_CPF0721-6'SL 分子名称: ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... 著者 Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A. 登録日 2015-12-16 公開日 2016-07-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form. Biochem.J., 473, 2016
8BQ8	Crystal structure of Trichoplax Dlg PDZ2 domain in complex with Trichoplax Vangl peptide 分子名称: Disks large-like protein 1, Vang-like protein 1 著者 Madduamge, J.C, Kvansakul, M. 登録日 2022-11-20 公開日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of Trichoplax Dlg PDZ2 domain in complex with Trichoplax Vangl peptide To Be Published
5FLS	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-10-28 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
8TOO	Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12 分子名称: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42 著者 Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. 登録日 2023-08-03 公開日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells. Immunity, 57, 2024

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