7JLY
 
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7JWX
 | | Crystal Structure of Trypsin Bound O-methyl Benzamidine | | 分子名称: | 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Packianathan, C, Laganowsky, A. | | 登録日 | 2020-08-26 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist.
Org.Biomol.Chem., 20, 2022
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7JW5
 | | Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid | | 分子名称: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | 登録日 | 2020-08-24 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.526 Å) | | 主引用文献 | Different Geometric Requirements for Cytochrome P450-Catalyzed Aliphatic Versus Aromatic Hydroxylation Results in Chemoselective Oxidation
Acs Catalysis, 12, 2022
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7KC5
 | | X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K | | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
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7KC3
 | | X-ray structure of Lfa-1 I domain collected at 273 K | | 分子名称: | Integrin alpha-L, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
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7KC6
 | | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | | 分子名称: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
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7JP3
 | | Des-B29,B30-insulin | | 分子名称: | CHLORIDE ION, Insulin B chain,Insulin A chain, PHENOL, ... | | 著者 | Yoder, J, Weiss, M.A, DiMarchi, R, Zaykov, A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Des-B29,B30-insulin
To Be Published
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7KCU
 | | Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | | 分子名称: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | | 登録日 | 2020-10-07 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7K4M
 | | Crystal structure of MetAP2 Modified Hemoglobin S | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Musayev, F.N, Safo, M.K, Light, D.R. | | 登録日 | 2020-09-15 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
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7JT9
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7JXB
 | | The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 | | 分子名称: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Doherty, D.Z, Bell, S.G, Bruning, J. | | 登録日 | 2020-08-27 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.655 Å) | | 主引用文献 | Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
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7K7U
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7JOR
 | | Neutron structure of ferric Dehaloperoxidase B | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.A.A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (2.05 Å) | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7KL2
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2V35
 | | Porcine Pancreatic Elastase in complex with inhibitor JM54 | | 分子名称: | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ... | | 著者 | Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M. | | 登録日 | 2007-06-12 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion.
Org.Biomol.Chem., 5, 2007
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2VLY
 | | Crystal structure of myoglobin compound III (radiation-induced) | | 分子名称: | GLYCEROL, HYDROGEN PEROXIDE, MYOGLOBIN, ... | | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2008-01-20 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection.
Biochem.J., 412, 2008
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2VLZ
 | | Crystal structure of peroxymyoglobin generated by cryoradiolytic reduction of myoglobin compound III | | 分子名称: | GLYCEROL, HYDROGEN PEROXIDE, MYOGLOBIN, ... | | 著者 | Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K. | | 登録日 | 2008-01-20 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Crystal Structure of Peroxymyoglobin Generated Through Cryoradiolytic Reduction of Myoglobin Compound III During Data Collection.
Biochem.J., 412, 2008
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2VK0
 | | Crystal structure form ultalente insulin microcrystals | | 分子名称: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, INSULIN A CHAIN, INSULIN B CHAIN, ... | | 著者 | Wagner, A, Diez, J, Schulze-Briese, C, Schluckebier, G. | | 登録日 | 2007-12-14 | | 公開日 | 2008-09-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of Ultralente--A Microcrystalline Insulin Suspension.
Proteins, 74, 2009
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2VKX
 | | Human NCAM, FN3 domains 1 and 2, M610R mutant | | 分子名称: | NEURAL CELL ADHESION MOLECULE, SULFATE ION | | 著者 | Carafoli, F, Saffell, J.L, Hohenester, E. | | 登録日 | 2008-01-04 | | 公開日 | 2008-02-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure of the Tandem Fibronectin Type 3 Domains of Neural Cell Adhesion Molecule
J.Mol.Biol., 377, 2008
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2VE3
 | | Retinoic acid bound cyanobacterial CYP120A1 | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120, RETINOIC ACID | | 著者 | Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. | | 登録日 | 2007-10-15 | | 公開日 | 2008-04-29 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1.
Biochemistry, 47, 2008
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2VKW
 | | Human NCAM, FN3 domains 1 and 2 | | 分子名称: | NEURAL CELL ADHESION MOLECULE 1,140 KDA ISOFORM, SULFATE ION | | 著者 | Carafoli, F, Saffell, J.L, Hohenester, E. | | 登録日 | 2008-01-04 | | 公開日 | 2008-02-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of the Tandem Fibronectin Type 3 Domains of Neural Cell Adhesion Molecule
J.Mol.Biol., 377, 2008
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2V37
 | | Solution structure of the N-terminal extracellular domain of human T- cadherin | | 分子名称: | CADHERIN-13 | | 著者 | Dames, S.A, Bang, E.J, Ahrens, T, Haeussinger, D, Grzesiek, S. | | 登録日 | 2007-06-13 | | 公開日 | 2008-06-10 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insights into the low adhesive capacity of human T-cadherin from the NMR structure of Its N-terminal extracellular domain.
J. Biol. Chem., 283, 2008
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2VIN
 | | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | | 分子名称: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | | 著者 | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | | 登録日 | 2007-12-05 | | 公開日 | 2008-01-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
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2VIP
 | | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | | 分子名称: | 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE, ACETATE ION, SULFATE ION, ... | | 著者 | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | | 登録日 | 2007-12-05 | | 公開日 | 2008-01-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
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2VJ9
 | | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | 著者 | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | 登録日 | 2007-12-07 | | 公開日 | 2008-01-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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