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8P4Z
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BU of 8p4z by Molmil
Crystal structure of the human CDK7 kinase domain in complex with LDC4297
分子名称: 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ...
著者Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B.
登録日2023-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
6Z8D
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BU of 6z8d by Molmil
Human Picobirnavirus CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z8E
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BU of 6z8e by Molmil
Human Picobirnavirus Ht-CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
6Z8F
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BU of 6z8f by Molmil
Human Picobirnavirus D45-CP VLP
分子名称: Capsid protein precursor
著者Ortega-Esteban, A, Mata, C.P, Rodriguez-Espinosa, M.J, Luque, D, Irigoyen, N, Rodriguez, J.M, de Pablo, P.J, Caston, J.R.
登録日2020-06-02
公開日2020-09-16
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-electron Microscopy Structure, Assembly, and Mechanics Show Morphogenesis and Evolution of Human Picobirnavirus.
J.Virol., 94, 2020
5ND1
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BU of 5nd1 by Molmil
Viral evolution results in multiple, surface-allocated enzymatic activities in a fungal double-stranded RNA virus
分子名称: Capsid protein
著者Mata, C.P, Luque, D, Gomez Blanco, J, Rodriguez, J.M, Suzuki, N, Ghabrial, S.A, Carrascosa, J.L, Trus, B.L, Caston, J.R.
登録日2017-03-07
公開日2017-11-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Acquisition of functions on the outer capsid surface during evolution of double-stranded RNA fungal viruses.
PLoS Pathog., 13, 2017
6ZQK
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BU of 6zqk by Molmil
HER2-binding scFv-Fab fusion 841
分子名称: 1,2-ETHANEDIOL, 841 heavy chain, 841 light chain
著者Kast, F, Schwill, M, Stueber, J.C, Pfundstein, S, Nagy-Davidescu, G, Monne Rodriguez, J.M, Seehusen, F, Richter, C.P, Honegger, A, Hartmann, K.P, Weber, T.G, Kroener, F, Ernst, P, Piehler, J, Plueckthun, A.
登録日2020-07-09
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Engineering an anti-HER2 biparatopic antibody with a multimodal mechanism of action.
Nat Commun, 12, 2021
8E9N
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BU of 8e9n by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIY in the ligand-free form at 278 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9L
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BU of 8e9l by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9M
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BU of 8e9m by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9R
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BU of 8e9r by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9K
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BU of 8e9k by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9O
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BU of 8e9o by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9Q
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BU of 8e9q by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9T
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BU of 8e9t by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9S
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BU of 8e9s by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFCS bound to maleic acid at 278 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9V
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BU of 8e9v by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9J
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BU of 8e9j by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 278 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9P
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BU of 8e9p by Molmil
Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 278 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9C
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BU of 8e9c by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant AIFS in the ligand-free form at 100 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9D
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BU of 8e9d by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant AIFS bound to maleic acid at 100 K
分子名称: Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
8E9U
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BU of 8e9u by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
3HJ3
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BU of 3hj3 by Molmil
Crystal Structure of the ChTS-DHFR F207A Non-Active Site Mutant
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Chain A, ...
著者Anderson, K.S, Martucci, W.E.
登録日2009-05-20
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Exploring novel strategies for AIDS protozoal pathogens: alpha-helix mimetics targeting a key allosteric protein-protein interaction in C. hominis TS-DHFR.
Medchemcomm, 4, 2013
8USK
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BU of 8usk by Molmil
Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USI
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BU of 8usi by Molmil
Crystal Structure of Kemp Eliminase HG198 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024

 

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