1E08
 
 | | Structural model of the [Fe]-Hydrogenase/cytochrome c553 complex combining NMR and soft-docking | | 分子名称: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | 著者 | Morelli, X, Czjzek, M, Hatchikian, C.E, Bornet, O, Fontecilla-Camps, J.C, Palma, N.P, Moura, J.J.G, Guerlesquin, F. | | 登録日 | 2000-03-13 | | 公開日 | 2000-08-25 | | 最終更新日 | 2019-11-27 | | 実験手法 | SOLUTION NMR, THEORETICAL MODEL | | 主引用文献 | Structural Model of the Fe-Hydrogenase/Cytochrome C553 Complex Combining Transverse Relaxation-Optimized Spectroscopy Experiments and Soft Docking Calculations.
J.Biol.Chem., 275, 2000
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3LK9
 | | DNA polymerase beta with a gapped DNA substrate and dTMP(CF2)P(CF2)P | | 分子名称: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Zibinsky, M, Surya Prakash, G.K, Upton, T.G, Kashemirov, B.A, McKenna, C.E, Oertell, K, Goodman, M.F, Batra, V.K, Pedersen, L.C, Beard, W.A, Wilson, S.H. | | 登録日 | 2010-01-27 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Synthesis and biological evaluation of fluorinated deoxynucleotide analogs based on bis-(difluoromethylene)triphosphoric acid.
Proc.Natl.Acad.Sci.USA, 107, 2010
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8ODT
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8GLR
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3SLP
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4QVB
 | | Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 | | 分子名称: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... | | 著者 | Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. | | 登録日 | 2014-07-14 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
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3SM4
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1E3Q
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH BW284C51 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, ACETYLCHOLINESTERASE, ... | | 著者 | Felder, C.E, Harel, M, Silman, I, Sussman, J.L. | | 登録日 | 2000-06-21 | | 公開日 | 2000-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure of a Complex of the Potent and Specific Inhibitor Bw284C51 with Torpedo Californica Acetylcholinesterase
Acta Crystallogr.,Sect.D, 58, 2002
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4RWA
 | | Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | | 著者 | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2014-12-01 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | | 主引用文献 | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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3CLN
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3B5R
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5H82
 | | HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM | | 分子名称: | ZINC ION, heteroyohimbine synthase THAS2 | | 著者 | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | | 登録日 | 2015-12-23 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
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3B66
 | | Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21 | | 分子名称: | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor | | 著者 | Bohl, C.E, Miller, D.D, Dalton, J.T. | | 登録日 | 2007-10-27 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
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3B9J
 | | Structure of Xanthine Oxidase with 2-hydroxy-6-methylpurine | | 分子名称: | 6-methyl-3,9-dihydro-2H-purin-2-one, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | | 著者 | Pauff, J.M, Zhang, J, Bell, C.E, Hille, R. | | 登録日 | 2007-11-05 | | 公開日 | 2007-12-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Substrate orientation in xanthine oxidase: crystal structure of enzyme in reaction with 2-hydroxy-6-methylpurine.
J.Biol.Chem., 283, 2008
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4RWD
 | | XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | | 著者 | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2014-12-02 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
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1EQC
 | | EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS IN COMPLEX WITH CASTANOSPERMINE AT 1.85 A | | 分子名称: | CASTANOSPERMINE, EXO-(B)-(1,3)-GLUCANASE | | 著者 | Cutfield, S.M, Davies, G.J, Murshudov, G, Anderson, B.F, Moody, P.C.E, Sullivan, P.A, Cutfield, J.F. | | 登録日 | 2000-04-03 | | 公開日 | 2000-10-03 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The structure of the exo-beta-(1,3)-glucanase from Candida albicans in native and bound forms: relationship between a pocket and groove in family 5 glycosyl hydrolases.
J.Mol.Biol., 294, 1999
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8GKS
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor | | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8GKU
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor | | 分子名称: | GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8GKT
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor | | 分子名称: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8GKY
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF359 inhibitor | | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8GKZ
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor | | 分子名称: | GLYCINE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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8GKW
 | | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor | | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Katinas, J.M, Dann III, C.E. | | 登録日 | 2023-03-20 | | 公開日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
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1E84
 | | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure | | 分子名称: | CYTOCHROME C', HEME C | | 著者 | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | | 登録日 | 2000-09-15 | | 公開日 | 2000-11-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase
Embo J., 19, 2000
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1E86
 | | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with CO bound to distal side of heme | | 分子名称: | CARBON MONOXIDE, CYTOCHROME C', HEME C | | 著者 | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | | 登録日 | 2000-09-15 | | 公開日 | 2000-11-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase
Embo J., 19, 2000
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8PFD
 | | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana | | 分子名称: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | | 著者 | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | | 登録日 | 2023-06-15 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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