5DHH
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![BU of 5dhh by Molmil](/molmil-images/mine/5dhh) | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target) | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol, OLEIC ACID, ... | 著者 | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | 登録日 | 2015-08-31 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.004 Å) | 主引用文献 | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor. Structure, 23, 2015
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5ET9
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![BU of 5et9 by Molmil](/molmil-images/mine/5et9) | Racemic crystal structures of Pribnow box consensus promoter sequence (P21/n) | 分子名称: | BARIUM ION, Pribnow box consensus sequence- template strand, Pribnow box non-template strand | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Srivastava, S.C, Huc, I. | 登録日 | 2015-11-17 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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5F4N
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![BU of 5f4n by Molmil](/molmil-images/mine/5f4n) | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | 著者 | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | 登録日 | 2015-12-03 | 公開日 | 2016-05-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016
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1MO8
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![BU of 1mo8 by Molmil](/molmil-images/mine/1mo8) | ATPase | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Sodium/Potassium-Transporting ATPase alpha-1 | 著者 | Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P. | 登録日 | 2002-09-08 | 公開日 | 2003-06-10 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase Nat.Struct.Biol., 10, 2003
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1MO7
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![BU of 1mo7 by Molmil](/molmil-images/mine/1mo7) | ATPase | 分子名称: | Sodium/Potassium-transporting ATPase alpha-1 chain | 著者 | Hilge, M, Siegal, G, Vuister, G.W, Guentert, P, Gloor, S.M, Abrahams, J.P. | 登録日 | 2002-09-08 | 公開日 | 2003-06-03 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | ATP-induced conformational changes of the nucleotide-binding domain of Na,K-ATPase Nat.Struct.Biol., 10, 2003
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1E5N
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![BU of 1e5n by Molmil](/molmil-images/mine/1e5n) | E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | 分子名称: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | 登録日 | 2000-07-27 | 公開日 | 2000-12-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A. Proteins, 41, 2000
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2YM8
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![BU of 2ym8 by Molmil](/molmil-images/mine/2ym8) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM4
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![BU of 2ym4 by Molmil](/molmil-images/mine/2ym4) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM7
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![BU of 2ym7 by Molmil](/molmil-images/mine/2ym7) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2IDF
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![BU of 2idf by Molmil](/molmil-images/mine/2idf) | P. aeruginosa azurin N42C/M64E double mutant, BMME-linked dimer | 分子名称: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ... | 著者 | Einsle, O, de Jongh, T.E, Hoffmann, M, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W. | 登録日 | 2006-09-15 | 公開日 | 2008-03-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Electron transfer in a crosslinked protein dimer mediated by a hydrogen-bonded network across the dimer interface To be Published
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3TUA
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![BU of 3tua by Molmil](/molmil-images/mine/3tua) | Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant | 分子名称: | Burkholderia Lethal Factor 1 (BLF1) | 著者 | Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W. | 登録日 | 2011-09-16 | 公開日 | 2011-11-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A. Science, 334, 2011
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1OPP
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![BU of 1opp by Molmil](/molmil-images/mine/1opp) | PEPTIDE OF HUMAN APOLIPOPROTEIN C-I RESIDUES 1-38, NMR, 28 STRUCTURES | 分子名称: | APOLIPOPROTEIN C-I | 著者 | Rozek, A, Buchko, G.W, Kanda, P, Cushley, R.J. | 登録日 | 1997-05-08 | 公開日 | 1998-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformational studies of the N-terminal lipid-associating domain of human apolipoprotein C-I by CD and 1H NMR spectroscopy. Protein Sci., 6, 1997
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1PCQ
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![BU of 1pcq by Molmil](/molmil-images/mine/1pcq) | Crystal structure of groEL-groES | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | 著者 | Chaudhry, C, Farr, G.W, Todd, M.J, Rye, H.S, Brunger, A.T, Adams, P.D, Horwich, A.L, Sigler, P.B. | 登録日 | 2003-05-16 | 公開日 | 2003-10-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.808 Å) | 主引用文献 | Role of the gamma-phosphate of ATP in triggering protein folding by GroEL-GroES: function, structure and energetics. Embo J., 22, 2003
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1PF9
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![BU of 1pf9 by Molmil](/molmil-images/mine/1pf9) | GroEL-GroES-ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, groEL protein, ... | 著者 | Chaudhry, C, Farr, G.W, Todd, M.J, Rye, H.S, Brunger, A.T, Adams, P.D, Horwich, A.L, Sigler, P.B. | 登録日 | 2003-05-24 | 公開日 | 2003-11-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.993 Å) | 主引用文献 | Role of the gamma-phosphate of ATP in triggering protein folding by GroEL-GroES: function, structure and energetics. Embo J., 22, 2003
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1PD7
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![BU of 1pd7 by Molmil](/molmil-images/mine/1pd7) | Extended SID of Mad1 bound to the PAH2 domain of mSin3B | 分子名称: | Mad1, Sin3b protein | 著者 | Van Ingen, H, Lasonder, E, Jansen, J.F, Kaan, A.M, Spronk, C.A, Stunnenberg, H.G, Vuister, G.W. | 登録日 | 2003-05-19 | 公開日 | 2004-01-20 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Extension of the binding motif of the sin3 interacting domain of the mad family proteins(,). Biochemistry, 43, 2004
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1PPO
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![BU of 1ppo by Molmil](/molmil-images/mine/1ppo) | DETERMINATION OF THE STRUCTURE OF PAPAYA PROTEASE OMEGA | 分子名称: | MERCURY (II) ION, PROTEASE OMEGA | 著者 | Pickersgill, R.W, Rizkallah, P.J, Harris, G.W, Goodenough, P.W. | 登録日 | 1991-07-12 | 公開日 | 1993-10-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Determination of the Structure of Papaya Protease Omega Acta Crystallogr.,Sect.B, 47, 1991
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1MZ8
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![BU of 1mz8 by Molmil](/molmil-images/mine/1mz8) | CRYSTAL STRUCTURES OF THE NUCLEASE DOMAIN OF COLE7/IM7 IN COMPLEX WITH A PHOSPHATE ION AND A ZINC ION | 分子名称: | Colicin E7, Colicin E7 immunity protein, PHOSPHATE ION, ... | 著者 | Sui, M.J, Tsai, L.C, Hsia, K.C, Doudeva, L.G, Ku, W.Y, Han, G.W, Yuan, H.S. | 登録日 | 2002-10-07 | 公開日 | 2002-12-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metal ions and phosphate binding in the H-N-H motif: crystal structures of the nuclease domain of ColE7/Im7 in complex with a phosphate ion and different divalent metal ions PROTEIN SCI., 11, 2002
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1OZI
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![BU of 1ozi by Molmil](/molmil-images/mine/1ozi) | The alternatively spliced PDZ2 domain of PTP-BL | 分子名称: | protein tyrosine phosphatase | 著者 | Walma, T, Aelen, J, Oostendorp, M, van den Berk, L, Hendriks, W, Vuister, G.W. | 登録日 | 2003-04-09 | 公開日 | 2004-01-27 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | A Closed Binding Pocket and Global Destabilization Modify the Binding Properties of an Alternatively Spliced Form of the Second PDZ Domain of PTP-BL. Structure, 12, 2004
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1NPJ
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![BU of 1npj by Molmil](/molmil-images/mine/1npj) | Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase | 著者 | Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W. | 登録日 | 2003-01-18 | 公開日 | 2003-04-29 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Reconstitution of the type-1 active site of the H145G/A variants of nitrite reductase by ligand insertion Biochemistry, 42, 2003
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1NPN
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![BU of 1npn by Molmil](/molmil-images/mine/1npn) | Crystal structure of a copper reconstituted H145A mutant of nitrite reductase from Alcaligenes faecalis | 分子名称: | CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase | 著者 | Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W. | 登録日 | 2003-01-18 | 公開日 | 2003-04-29 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Reconstitution of the type-1 active site of the 145G/A variants of Nitrite Reductase by ligand insertion Biochemistry, 42, 2003
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1P9J
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![BU of 1p9j by Molmil](/molmil-images/mine/1p9j) | Solution structure and dynamics of the EGF/TGF-alpha chimera T1E | 分子名称: | chimera of Epidermal growth factor(EGF) and Transforming growth factor alpha (TGF-alpha) | 著者 | Wingens, M, Walma, T, Van Ingen, H, Stortelers, C, Van Leeuwen, J.E, Van Zoelen, E.J, Vuister, G.W. | 登録日 | 2003-05-12 | 公開日 | 2003-10-07 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Analysis of an Epidermal Growth Factor/Transforming Growth Factor-alpha Chimera with Unique ErbB Binding Specificity. J.Biol.Chem., 278, 2003
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1PNJ
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![BU of 1pnj by Molmil](/molmil-images/mine/1pnj) | SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE | 分子名称: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | 著者 | Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D. | 登録日 | 1993-07-19 | 公開日 | 1993-10-31 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase. Cell(Cambridge,Mass.), 73, 1993
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