PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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3HR1	Discovery of novel inhibitors of PDE10A 分子名称: 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
3HUJ	Crystal structure of human CD1d-alpha-Galactosylceramide in complex with semi-invariant NKT cell receptor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, MAGNESIUM ION, ... 著者 Pang, S.S. 登録日 2009-06-14 公開日 2009-07-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Differential recognition of CD1d-alpha-galactosyl ceramide by the V beta 8.2 and V beta 7 semi-invariant NKT T cell receptors Immunity, 31, 2009
5OW4	Crystal structure of a protease-resistant fragment of the Trypanosoma cruzi gamete fusion protein HAP2 ectodomain 分子名称: Uncharacterized protein 著者 Fedry, J, Rey, F.A, Krey, T. 登録日 2017-08-30 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes. PLoS Biol., 16, 2018
1QNU	Shiga-Like Toxin I B Subunit Complexed with the Bridged-Starfish Inhibitor 分子名称: ETHYL-CARBAMIC ACID METHYL ESTER, METHYL-CARBAMIC ACID ETHYL ESTER, Shiga toxin 1 variant B subunit, ... 著者 Pannu, N.S, Hayakawa, K, Read, R.J. 登録日 1999-10-21 公開日 2000-04-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Shiga-like toxins are neutralized by tailored multivalent carbohydrate ligands. Nature, 403, 2000
6K4J	Crystal Structure of the the CD9 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CD9 antigen, NICKEL (II) ION, ... 著者 Umeda, R, Nishizawa, T, Sato, K, Nureki, O. 登録日 2019-05-24 公開日 2020-05-13 実験手法 X-RAY DIFFRACTION (2.701 Å) 主引用文献 Structural insights into tetraspanin CD9 function. Nat Commun, 11, 2020
5R9U	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13475a in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 14, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
2D1T	Crystal structure of the thermostable Japanese Firefly Luciferase red-color emission S286N mutant complexed with High-energy intermediate analogue 分子名称: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, CHLORIDE ION, Luciferin 4-monooxygenase 著者 Nakatsu, T, Ichiyama, S, Hiratake, J, Saldanha, A, Kobashi, N, Sakata, K, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-08-31 公開日 2006-03-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural basis for the spectral difference in luciferase bioluminescence. Nature, 440, 2006
5R9H	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ658 in complex with MAP kinase p38-alpha 分子名称: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R9Y	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha 分子名称: 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
1BEU	TRP SYNTHASE (D60N-IPP-SER) WITH K+ 分子名称: INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ... 著者 Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R. 登録日 1998-05-18 公開日 1998-08-12 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60. Biochemistry, 37, 1998
1QOH	A MUTANT SHIGA-LIKE TOXIN IIE 分子名称: SHIGA-LIKE TOXIN IIE B SUBUNIT 著者 Pannu, N.S, Boodhoo, A, Armstrong, G.D, Clark, C.G, Brunton, J.L, Read, R.J. 登録日 1999-11-08 公開日 2000-07-03 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 A Mutant Shiga-Like Toxin Iie Bound to its Receptor Gb(3): Structure of a Group II Shiga-Like Toxin with Altered Binding Specificity Structure, 8, 2000
5R99	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha 分子名称: 1,2-ETHANEDIOL, 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile, CHLORIDE ION, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
7BVY	Crystal structure of MreB 5 of Spiroplasma citri bound to AMPPNP 分子名称: Cell shape determining protein MreB, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Pande, V, Gayathri, P. 登録日 2020-04-12 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020
7BVZ	Crystal structure of MreB5 of Spiroplasma citri bound to ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell shape determining protein MreB, MAGNESIUM ION, ... 著者 Pande, V, Bagde, S.R, Gayathri, P. 登録日 2020-04-12 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 MreB5 Is a Determinant of Rod-to-Helical Transition in the Cell-Wall-less Bacterium Spiroplasma. Curr.Biol., 30, 2020
6JL2	Crystal structure of VvPlpA G389N from Vibrio vulnificus 分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, HEXAETHYLENE GLYCOL, Thermolabile hemolysin 著者 Ma, Q, Wan, Y, Liu, C. 登録日 2019-03-03 公開日 2019-05-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad. J.Biol.Chem., 294, 2019
3FY6	Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS3 分子名称: Integron cassette protein 著者 Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Tan, K, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) 登録日 2009-01-21 公開日 2009-02-10 最終更新日 2013-03-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
1R4F	Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma vivax: Trp260Ala Mutant In Complex With 3-Deaza-Adenosine 分子名称: 3-DEAZA-ADENOSINE, CALCIUM ION, IAG-nucleoside hydrolase 著者 Versees, W, Loverix, S, Vandemeulebroucke, A, Geerlings, P, Steyaert, J. 登録日 2003-10-06 公開日 2004-04-13 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Leaving group activation by aromatic stacking: an alternative to general Acid catalysis. J.Mol.Biol., 338, 2004
1YOU	Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione inhibitor 分子名称: 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE, CALCIUM ION, Collagenase 3, ... 著者 Pandit, J. 登録日 2005-01-28 公開日 2005-03-15 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14. Bioorg.Med.Chem.Lett., 15, 2005
1TRY	STRUCTURE OF INHIBITED TRYPSIN FROM FUSARIUM OXYSPORUM AT 1.55 ANGSTROMS 分子名称: ISOPROPYL ALCOHOL, PHOSPHORYLISOPROPANE, TRYPSIN 著者 Rypniewski, W.R, Dambmann, C, Von Der Osten, C, Dauter, M, Wilson, K.S. 登録日 1994-03-07 公開日 1996-01-01 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure of inhibited trypsin from Fusarium oxysporum at 1.55 A. Acta Crystallogr.,Sect.D, 51, 1995
3HQY	Discovery of novel inhibitors of PDE10A 分子名称: 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
2FPB	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family 分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, Strictosidine Synthase 著者 Panjikar, S. 登録日 2006-01-16 公開日 2006-05-23 最終更新日 2021-11-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FP8	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family 分子名称: Strictosidine synthase 著者 Panjikar, S. 登録日 2006-01-16 公開日 2006-05-23 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FPC	Structure of Strictosidine Synthase, the Biosynthetic Entry to the Monoterpenoid Indole Alkaloid Family 分子名称: Secologanin, Strictosidine synthase 著者 Panjikar, S. 登録日 2006-01-16 公開日 2006-05-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2FP9	Crystal structure of Native Strictosidine Synthase 分子名称: L(+)-TARTARIC ACID, Strictosidine synthase 著者 Panjikar, S. 登録日 2006-01-16 公開日 2006-05-23 最終更新日 2019-07-10 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins Plant Cell, 18, 2006
2TRS	CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES 分子名称: INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... 著者 Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R. 登録日 1997-01-07 公開日 1997-04-01 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997

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