PDB: 42250 件ウェブページステータス検索Chemie searchBIRD

---

6RKN	Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-FLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-04-30 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.959 Å) 主引用文献 The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
1ZQB	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF BACL2 (150 MILLIMOLAR) 分子名称: BARIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1ZQJ	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR) AND MGCL2 (15 MILLIMOLAR) 分子名称: CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
6RM1	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-methylbenzohydrazide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-05-03 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
3Q67	Human Aldose Reductase C298S mutant in Complex with NADP+ in Space Group P212121 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION 著者 Sawaya, M.R, Cascio, D, Balendiran, G.K. 登録日 2010-12-30 公開日 2011-01-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The role of Cys-298 in aldose reductase function. J.Biol.Chem., 286, 2011
6RMP	Human Carbonic Anhydrase II in complex with fragment. 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3-(dimethylamino)benzohydrazide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-05-07 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
9R7J	Repair of Iron Centre (RIC) protein from Staphylococcus aureus 分子名称: FE (III) ION, Iron-sulfur cluster repair protein ScdA, OXYGEN ATOM, ... 著者 Romao, C.V, Matias, P.M, Saraiva, L.M. 登録日 2025-05-14 公開日 2025-07-09 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Repair of Iron Centre (RIC) protein from Staphylococcus aureus To Be Published
6RMY	Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S. 登録日 2019-05-07 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide To Be Published
4F45	Crystal structure of human CD38 E226Q mutant in complex with NAADP 分子名称: ADP-ribosyl cyclase 1, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate 著者 Zhang, H, Lee, H.C, Hao, Q. 登録日 2012-05-10 公開日 2013-04-03 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of Human CD38 in Complex with NAADP and ADPRP MESSENGER, 2, 2013
1RAZ	THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE 分子名称: BROMIDE ION, CARBONIC ANHYDRASE II, ZINC ION 著者 Jonsson, B.M, Hakansson, K, Liljas, A. 登録日 1993-04-02 公開日 1993-10-31 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The structure of human carbonic anhydrase II in complex with bromide and azide. FEBS Lett., 322, 1993
1ZWF	STRUCTURE OF N-TERMINAL ACETYLATED HUMAN PARATHYROID HORMONE, NMR, 10 STRUCTURES 分子名称: PARATHYROID HORMONE 著者 Roesch, P, Marx, U.C. 登録日 1996-06-17 公開日 1997-06-16 最終更新日 2024-11-13 実験手法 SOLUTION NMR 主引用文献 Strukturen Verschiedener Parathormonfragmente in Loesung, 1996
1ZQF	DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CSCL (150 MILLIMOLAR) 分子名称: CESIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ... 著者 Pelletier, H, Sawaya, M.R. 登録日 1996-04-12 公開日 1996-11-15 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis. Biochemistry, 35, 1996
1RE8	Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2 分子名称: 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE, N-OCTANE, cAMP-dependent protein kinase, ... 著者 Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. 登録日 2003-11-06 公開日 2004-02-24 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit Biochemistry, 43, 2004
3QAM	Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... 著者 Yang, J, Wu, J, Steichen, J, Taylor, S.S. 登録日 2011-01-11 公開日 2011-12-07 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold. J.Mol.Biol., 415, 2012
1RQD	deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site 分子名称: 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R. 登録日 2003-12-04 公開日 2004-07-13 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex J.Biol.Chem., 279, 2004
6RTJ	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking 分子名称: 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. 登録日 2019-05-24 公開日 2020-01-08 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
2EF1	Crystal structure of the extracellular domain of human CD38 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADP-ribosyl cyclase 1 著者 Kukimoto-Niino, M, Nureki, O, Murayama, K, Shirouzu, M, Katada, T, Hara-Yokoyama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-02-20 公開日 2007-02-27 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of the extracellular domain of human CD38 To be Published
2EG9	Crystal structure of the truncated extracellular domain of mouse CD38 分子名称: ADP-ribosyl cyclase 1 著者 Kukimoto-Niino, M, Mishima, C, Wakiyama, M, Terada, T, Shirouzu, M, Hara-Yokoyama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-02-28 公開日 2008-03-11 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of the truncated extracellular domain of mouse CD38 To be Published
6RTO	Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 4 hours of soaking 分子名称: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... 著者 Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. 登録日 2019-05-24 公開日 2020-01-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Ectopic suicide inhibition of thioredoxin glutathione reductase. Free Radic Biol Med, 147, 2020
3LQG	Human aldose reductase mutant T113A complexed with IDD388 分子名称: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... 著者 Koch, C, Heine, A, Klebe, G. 登録日 2010-02-09 公開日 2010-12-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
2EIQ	Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Thioredoxin 1 著者 Kobayashi, M. 登録日 2007-03-13 公開日 2007-09-11 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts J.Mol.Biol., 372, 2007
126D	CRYSTAL STRUCTURE OF CATGGCCATG AND ITS IMPLICATIONS FOR A-TRACT BENDING MODELS 分子名称: DNA (5'-D(*CP*AP*TP*GP*GP*CP*CP*AP*TP*G)-3') 著者 Goodsell, D.S, Kopka, M.L, Cascio, D, Dickerson, R.E. 登録日 1993-06-14 公開日 1993-10-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of CATGGCCATG and its implications for A-tract bending models. Proc.Natl.Acad.Sci.USA, 90, 1993
12CA	ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Nair, S.K, Christianson, D.W. 登録日 1991-10-01 公開日 1992-10-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Altering the mouth of a hydrophobic pocket. Structure and kinetics of human carbonic anhydrase II mutants at residue Val-121. J.Biol.Chem., 266, 1991
1QRV	CRYSTAL STRUCTURE OF THE COMPLEX OF HMG-D AND DNA 分子名称: DNA (5'-D(*GP*CP*GP*AP*TP*AP*TP*CP*GP*C)-3'), HIGH MOBILITY GROUP PROTEIN D, SODIUM ION 著者 Murphy IV, F.V, Sweet, R.M, Churchill, M.E.A. 登録日 1999-06-15 公開日 1999-12-18 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The structure of a chromosomal high mobility group protein-DNA complex reveals sequence-neutral mechanisms important for non-sequence-specific DNA recognition. EMBO J., 18, 1999
4IJ9	Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone 分子名称: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha 著者 Dreyer, M.K, Schiffer, A. 登録日 2012-12-21 公開日 2013-05-01 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013

<961962963964965966967968969970971972973974975976>