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PDB: 21350 件

2VYZ
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Mutant Ala55Phe of Cerebratulus lacteus mini-hemoglobin
分子名称: ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ...
著者Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S.
登録日2008-07-29
公開日2008-10-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit.
J.Biol.Chem., 283, 2008
2W1F
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2VS7
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The crystal structure of I-DmoI in complex with DNA and Ca
分子名称: 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP *CP*TP*TP*AP*CP*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP *GP*TP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*G)-3', ACETATE ION, ...
著者Marcaida, M.J, Prieto, J, Redondo, P, Nadra, A.D, Alibes, A, Serrano, L, Grizot, S, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G.
登録日2008-04-21
公開日2008-11-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of I-Dmoi in Complex with its Target DNA Provides New Insights Into Meganuclease Engineering.
Proc.Natl.Acad.Sci.USA, 105, 2008
2W1G
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2WFZ
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NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN
分子名称: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
登録日2009-04-15
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2WEG
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Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors
分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
著者Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H.
登録日2009-03-31
公開日2009-11-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors.
Chemmedchem, 4, 2009
2W1C
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W4Z
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Caulobacter bacteriophage 5
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, CAULOBACTER BACTERIOPHAGE 5
著者Plevka, P, Kazaks, A, Dishlers, A, Liljas, L, Tars, K.
登録日2008-12-02
公開日2009-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Structure of Bacteriophage Phicb5 Reveals a Role of the RNA Genome and Metal Ions in Particle Stability and Assembly.
J.Mol.Biol., 391, 2009
2W1J
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CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae
分子名称: GLYCEROL, PUTATIVE SORTASE
著者Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A.
登録日2008-10-17
公開日2008-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae.
Structure, 16, 2008
2VNN
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Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2008-02-05
公開日2008-05-20
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2W1E
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2WBJ
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TCR complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN, ...
著者Harkiolaki, M, Holmes, S.L, Svendsen, P, Gregersen, J.W, Jensen, L.T, McMahon, R, Friese, M.A, van Boxel, G, Etzensperger, R, Tzartos, J.S, Kranc, K, Sainsbury, S, Harlos, K, Mellins, E.D, Palace, J, Esiri, M.M, van der Merwe, P.A, Jones, E.Y, Fugger, L.
登録日2009-03-02
公開日2009-04-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献T Cell-Mediated Autoimmune Disease due to Low-Affinity Crossreactivity to Common Microbial Peptides.
Immunity, 30, 2009
2VNM
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Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2008-02-05
公開日2008-05-20
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
2W1I
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2WGV
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Crystal structure of the OXA-10 V117T mutant at pH 6.5 inhibited by a chloride ion
分子名称: BETA-LACTAMASE OXA-10, CHLORIDE ION, CITRIC ACID, ...
著者Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-04-27
公開日2010-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post- Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WG2
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NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT)
分子名称: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
登録日2009-04-15
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2WGH
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Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P.
登録日2009-04-19
公開日2009-05-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
7AX0
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Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a
分子名称: Keggin (STA), PHOSPHATE ION, SconeE
著者Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D.
登録日2020-11-09
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
7AEG
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BU of 7aeg by Molmil
SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide
著者Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
登録日2020-09-17
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7AEH
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SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
分子名称: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
登録日2020-09-17
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
7AOS
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crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ...
著者le Maire, A, Guee, L, Bourguet, W.
登録日2020-10-15
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
7APO
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Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, GLYCEROL, Nuclear receptor coactivator 2, ...
著者le Maire, A, Guee, L, Bourguet, W.
登録日2020-10-19
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR).
J.Mol.Biol., 433, 2021
7AZT
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X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, RE11660p
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S.
登録日2020-11-17
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
7AYV
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X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ...
著者Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S.
登録日2020-11-13
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
1THT
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STRUCTURE OF A MYRISTOYL-ACP-SPECIFIC THIOESTERASE FROM VIBRIO HARVEYI
分子名称: THIOESTERASE
著者Lawson, D.M, Derewenda, U, Serre, L, Ferri, S, Szitter, R, Wei, Y, Meighen, E.A, Derewenda, Z.S.
登録日1994-04-19
公開日1995-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a myristoyl-ACP-specific thioesterase from Vibrio harveyi.
Biochemistry, 33, 1994

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