3B6A
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![BU of 3b6a by Molmil](/molmil-images/mine/3b6a) | Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with actinorhodin | 分子名称: | 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid, ActR protein | 著者 | Willems, A.R, Junop, M.S. | 登録日 | 2007-10-28 | 公開日 | 2008-02-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA. J.Mol.Biol., 376, 2008
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6YMD
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![BU of 6ymd by Molmil](/molmil-images/mine/6ymd) | Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the covalent complex with malonate | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MALONATE ION, ... | 著者 | Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R. | 登録日 | 2020-04-08 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance. Int.J.Biol.Macromol., 159, 2020
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6Y03
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![BU of 6y03 by Molmil](/molmil-images/mine/6y03) | |
6Y3H
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![BU of 6y3h by Molmil](/molmil-images/mine/6y3h) | NMR solution structure of the hazelnut allergen Cor a 1.0401 | 分子名称: | Major allergen Cor a 1.0401 | 著者 | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | 登録日 | 2020-02-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y3L
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![BU of 6y3l by Molmil](/molmil-images/mine/6y3l) | NMR solution structure of the hazelnut allergen Cor a 1.0404 | 分子名称: | Major allergen variant Cor a 1.0404 | 著者 | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | 登録日 | 2020-02-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y0B
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![BU of 6y0b by Molmil](/molmil-images/mine/6y0b) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) | 分子名称: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | 登録日 | 2020-02-07 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y05
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![BU of 6y05 by Molmil](/molmil-images/mine/6y05) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | 著者 | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | 登録日 | 2020-02-06 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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4PHX
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3B8E
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![BU of 3b8e by Molmil](/molmil-images/mine/3b8e) | Crystal structure of the sodium-potassium pump | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, ... | 著者 | Morth, J.P, Pedersen, P.B, Toustrup-Jensen, M.S, Soerensen, T.L.M, Petersen, J, Andersen, J.P, Vilsen, B, Nissen, P. | 登録日 | 2007-11-01 | 公開日 | 2007-12-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal structure of the sodium-potassium pump. Nature, 450, 2007
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6Y3I
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![BU of 6y3i by Molmil](/molmil-images/mine/6y3i) | NMR solution structure of the hazelnut allergen Cor a 1.0402 | 分子名称: | Major allergen variant Cor a 1.0402 | 著者 | Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M. | 登録日 | 2020-02-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens. Sci Rep, 11, 2021
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6Y1P
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![BU of 6y1p by Molmil](/molmil-images/mine/6y1p) | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | 分子名称: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | 著者 | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | 登録日 | 2020-02-13 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
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6Y21
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![BU of 6y21 by Molmil](/molmil-images/mine/6y21) | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-Cystathionine | 分子名称: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | 著者 | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | 登録日 | 2020-02-14 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Cystathionine Beta-synthase from Toxoplasma gondii with PLP-Cystathionine To Be Published
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6YAR
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![BU of 6yar by Molmil](/molmil-images/mine/6yar) | Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of AppCp | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | 著者 | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | 登録日 | 2020-03-12 | 公開日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Architecture and regulation of an enterobacterial cellulose secretion system. Sci Adv, 7, 2021
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6YAY
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![BU of 6yay by Molmil](/molmil-images/mine/6yay) | Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of ADP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | 著者 | Abidi, W, Caleechurn, M, Zouhir, S, Roche, S, Krasteva, P.V. | 登録日 | 2020-03-14 | 公開日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Architecture and regulation of an enterobacterial cellulose secretion system. Sci Adv, 7, 2021
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6YB3
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![BU of 6yb3 by Molmil](/molmil-images/mine/6yb3) | Crystal structure of a native BcsRQ complex purified and crystallized in the absence of nucleotide | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | 著者 | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | 登録日 | 2020-03-15 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Architecture and regulation of an enterobacterial cellulose secretion system. Sci Adv, 7, 2021
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6YB5
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![BU of 6yb5 by Molmil](/molmil-images/mine/6yb5) | Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of ADP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsQ, Bacterial cellulose secretion regulator BcsR, ... | 著者 | Caleechurn, M, Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V. | 登録日 | 2020-03-15 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Architecture and regulation of an enterobacterial cellulose secretion system. Sci Adv, 7, 2021
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6YLI
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6YLD
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![BU of 6yld by Molmil](/molmil-images/mine/6yld) | Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3 | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ... | 著者 | D Sa, J, Banjara, S, Kvansakul, M. | 登録日 | 2020-04-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis. Sci Adv, 6, 2020
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3BHF
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![BU of 3bhf by Molmil](/molmil-images/mine/3bhf) | Crystal structure of R49K mutant of Monomeric Sarcosine Oxidase crystallized in PEG as precipitant | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase | 著者 | Hassan-Abdallah, A, Zhao, G, Chen, Z, Mathews, F.S, Jorns, M.S. | 登録日 | 2007-11-28 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Arginine 49 is a bifunctional residue important in catalysis and biosynthesis of monomeric sarcosine oxidase: a context-sensitive model for the electrostatic impact of arginine to lysine mutations. Biochemistry, 47, 2008
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3C4O
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![BU of 3c4o by Molmil](/molmil-images/mine/3c4o) | Crystal Structure of the SHV-1 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) E73M/S130K/S146M complex | 分子名称: | Beta-lactamase SHV-1, Beta-lactamase inhibitory protein, SULFATE ION | 著者 | Reynolds, K.A, Hanes, M.S, Thomson, J.M, Antczak, A.J, Berger, J.M, Bonomo, R.A, Kirsch, J.F, Handel, T.M. | 登録日 | 2008-01-30 | 公開日 | 2008-05-27 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Computational redesign of the SHV-1 beta-lactamase/beta-lactamase inhibitor protein interface. J.Mol.Biol., 382, 2008
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6Y2U
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![BU of 6y2u by Molmil](/molmil-images/mine/6y2u) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | 分子名称: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | 登録日 | 2020-02-17 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y89
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![BU of 6y89 by Molmil](/molmil-images/mine/6y89) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, ... | 著者 | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | 登録日 | 2020-03-04 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y4I
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3CCT
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![BU of 3cct by Molmil](/molmil-images/mine/3cct) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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3CCZ
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![BU of 3ccz by Molmil](/molmil-images/mine/3ccz) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | 分子名称: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | 登録日 | 2008-02-26 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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