PDB: 890 件ウェブページステータス検索Chemie searchBIRD

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3HPI	Crystal structure of maltose-binding protein mutant with bound sucrose 分子名称: ACETATE ION, Maltose-binding periplasmic protein, ZINC ION, ... 著者 Gould, A.D, Shilton, B.H. 登録日 2009-06-04 公開日 2010-02-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Studies of the maltose transport system reveal a mechanism for coupling ATP hydrolysis to substrate translocation without direct recognition of substrate. J.Biol.Chem., 285, 2010
4ZVR	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor. 分子名称: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ 著者 Hill, M.E, MacPherson, D.J, Hardy, J.A. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVT	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor. 分子名称: Caspase-7, VEID inhibitor 著者 Hardy, J.A, MacPherson, D.J, Hill, M.E. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVP	Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to DEVD inhibitor. 分子名称: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASA 著者 Hill, M.E, MacPherson, D.J, Hardy, J.A. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVU	Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho 分子名称: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO 著者 Hardy, J.A, MacPherson, D.J, Hill, M.E. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.601 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVQ	Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor. 分子名称: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA 著者 Hill, M.E, MacPherson, D.J, Hardy, J.A. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVS	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor. 分子名称: Caspase-7, DEVD inhibitor 著者 MacPherson, D.J, Hill, M.E, Hardy, J.A. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVO	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor. 分子名称: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ 著者 Hill, M.E, MacPherson, D.J, Hardy, J.A. 登録日 2015-05-18 公開日 2016-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
8EUN	MicroED structure of an Aeropyrum pernix protoglobin metallo-carbene complex 分子名称: Protogloblin ApPgb, benzyl[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron 著者 Danelius, E, Gonen, T, Unge, J.T. 登録日 2022-10-19 公開日 2023-04-05 最終更新日 2024-05-22 実験手法 ELECTRON CRYSTALLOGRAPHY (2.5 Å) 主引用文献 MicroED Structure of a Protoglobin Reactive Carbene Intermediate. J.Am.Chem.Soc., 145, 2023
8EUM	MicroED structure of an Aeropyrum pernix protoglobin mutant 分子名称: FE (III) ION, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Danelius, E, Gonen, T, Unge, J.T. 登録日 2022-10-18 公開日 2023-11-08 最終更新日 2024-05-22 実験手法 ELECTRON CRYSTALLOGRAPHY (2.1 Å) 主引用文献 MicroED Structure of a Protoglobin Reactive Carbene Intermediate. J.Am.Chem.Soc., 145, 2023
4BS0	Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION 著者 Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D. 登録日 2013-06-06 公開日 2013-10-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase Nature, 503, 2013
1PVQ	BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, LNSGG BOUND TO THE ENGINEERED RECOGNITION SITE LOXM7 分子名称: DNA 34-MER, Recombinase cre 著者 Baldwin, E.P, Martin, S.S, Abel, J, Gelato, K.A, Kim, H, Schultz, P.G, Santoro, S.W. 登録日 2003-06-28 公開日 2004-02-17 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 A specificity switch in selected cre recombinase variants is mediated by macromolecular plasticity and water. Chem.Biol., 10, 2003
1PVR	BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, LNSGG BOUND TO THE LOXP (WILDTYPE) RECOGNITION SITE 分子名称: 34-MER, Recombinase CRE 著者 Baldwin, E.P, Martin, S.S, Abel, J, Gelato, K.A, Kim, H, Schultz, P.G, Santoro, S.W. 登録日 2003-06-28 公開日 2004-02-17 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 A specificity switch in selected cre recombinase variants is mediated by macromolecular plasticity and water. Chem.Biol., 10, 2003
1PVP	BASIS FOR A SWITCH IN SUBSTRATE SPECIFICITY: CRYSTAL STRUCTURE OF SELECTED VARIANT OF CRE SITE-SPECIFIC RECOMBINASE, ALSHG BOUND TO THE ENGINEERED RECOGNITION SITE LOXM7 分子名称: 34-MER, Recombinase cre 著者 Baldwin, E.P, Martin, S.S, Abel, J, Gelato, K.A, Kim, H, Schultz, P.G, Santoro, S.W. 登録日 2003-06-28 公開日 2004-02-17 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 A specificity switch in selected cre recombinase variants is mediated by macromolecular plasticity and water. Chem.Biol., 10, 2003
6TWW	Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) 分子名称: ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... 著者 Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. 登録日 2020-01-13 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
6TXD	Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) 分子名称: ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... 著者 Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. 登録日 2020-01-14 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
6TY6	Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) 分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... 著者 Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. 登録日 2020-01-15 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
6GWI	The crystal structure of Halomonas elongata amino-transferase 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Gourlay, L.J. 登録日 2018-06-25 公開日 2019-05-08 最終更新日 2020-01-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Widely applicable background depletion step enables transaminase evolution through solid-phase screening. Chem Sci, 10, 2019
8BP0	Crystal structure of BHMeHis1.8, an engineered enzyme for the Morita-Baylis-Hillman reaction 分子名称: 1,2-ETHANEDIOL, BHMeHis1.8, TRIETHYLENE GLYCOL 著者 Hardy, F.J. 登録日 2022-11-15 公開日 2024-02-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.621 Å) 主引用文献 A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme. Nat Commun, 15, 2024
8BP1	Crystal structure of BHMeHis1.0, an engineered enzyme for the Morita-Baylis-Hillman reaction 分子名称: ACETATE ION, BHMeHis1.0, DI(HYDROXYETHYL)ETHER, ... 著者 Hardy, F.J. 登録日 2022-11-15 公開日 2024-02-28 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 A non-canonical nucleophile unlocks a new mechanistic pathway in a designed enzyme. Nat Commun, 15, 2024
5YAO	The complex structure of SZ529 and expoxid 分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION 著者 Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T. 登録日 2017-09-01 公開日 2018-06-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.611 Å) 主引用文献 Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations J. Am. Chem. Soc., 140, 2018
5YNG	Crystal structure of SZ348 in complex with cyclopentene oxide 分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ... 著者 Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H. 登録日 2017-10-24 公開日 2018-06-27 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.497 Å) 主引用文献 Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations. J. Am. Chem. Soc., 140, 2018
5YQT	Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide 分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase 著者 Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H. 登録日 2017-11-07 公開日 2018-06-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations. J. Am. Chem. Soc., 140, 2018
3RWL	Structure of P450pyr hydroxylase 分子名称: Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE 著者 Pompidor, G. 登録日 2011-05-09 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom. Chem.Commun.(Camb.), 48, 2012
7S3V	Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine 分子名称: Kynureninase 著者 Burkholder, N.T, Zhang, Y.J. 登録日 2021-09-08 公開日 2022-12-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.249 Å) 主引用文献 Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme. Nat Catal, 5, 2022

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