7ORU
 
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
|
|
7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
|
|
7ORR
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | | 分子名称: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | 登録日 | 2021-06-06 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
|
|
2E9S
 | | human neuronal Rab6B in three intermediate forms | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | | 著者 | Vellieux, F.M, Tcherniuk, S, Garcia-Saez, I, Kozielski, F. | | 登録日 | 2007-01-26 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | 3D structure of human neuronal Rab6B in three intermediate forms
To be Published
|
|
5NJU
 | | Flavivirus NS5 domain | | 分子名称: | Genome polyprotein, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Talapatra, S.K, Chatrin, C, Kozielski, F. | | 登録日 | 2017-03-29 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
|
|
5NJV
 | | Flavivirus NS5 domain | | 分子名称: | CHLORIDE ION, NS5, S-ADENOSYLMETHIONINE | | 著者 | Talapatra, S.K, Chatrin, C, Kozielski, F. | | 登録日 | 2017-03-29 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping.
Oncotarget, 9, 2018
|
|
6G6Z
 | | Eg5-inhibitor complex | | 分子名称: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | 著者 | Talapatra, S.K, Kozielski, F, Tham, C.L. | | 登録日 | 2018-04-04 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Eur J Med Chem, 156, 2018
|
|
6YM1
 | | Mycobacterium tuberculosis FtsZ in complex with GDP | | 分子名称: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | 登録日 | 2020-04-07 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
|
|
6YM9
 | | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ | | 著者 | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | 登録日 | 2020-04-08 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
|
|
6Y1U
 | | Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin | | 分子名称: | 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ... | | 著者 | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | 登録日 | 2020-02-13 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
|
|
6Y1V
 | | Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin | | 分子名称: | 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ... | | 著者 | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | 登録日 | 2020-02-13 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
|
|
6ZCT
 | | Nonstructural protein 10 (nsp10) from SARS CoV-2 | | 分子名称: | ZINC ION, nsp10 | | 著者 | Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F. | | 登録日 | 2020-06-12 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
|
|
6H80
 | | Dengue-RdRp3-inhibitor complex co-crystallisation | | 分子名称: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | 著者 | Talapatra, S.K, Kozielski, F. | | 登録日 | 2018-07-31 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
|
|
6H9R
 | | Dengue-RdRp3-inhibitor complex soaking | | 分子名称: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | 著者 | Talapatra, S.K, Kozielski, F. | | 登録日 | 2018-08-05 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
|
|
6ZPE
 | |
6HKY
 | | Eg5-inhibitor complex | | 分子名称: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | 著者 | Talapatra, S.K, Kozielski, F. | | 登録日 | 2018-09-09 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
|
|
6HKX
 | | Eg5-inhibitor complex | | 分子名称: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Talapatra, S.K, Kozielski, F. | | 登録日 | 2018-09-09 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes.
Mol.Cancer Ther., 18, 2019
|
|
2FE4
 | | The crystal structure of human neuronal Rab6B in its inactive GDP-bound form | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | | 著者 | Garcia-Saez, I, Tcherniuk, F, Kozielski, F. | | 登録日 | 2005-12-15 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006
|
|
2X2R
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid | | 分子名称: | (2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | 著者 | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | 登録日 | 2010-01-15 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
|
|
2XAE
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid | | 分子名称: | (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | 登録日 | 2010-03-31 | | 公開日 | 2011-03-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
|
|
2FFQ
 | | The crystal structure of human neuronal Rab6B in its active GTPgS-bound form | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-6B | | 著者 | Garcia-Saez, I, Tcherniuk, S, Kozielski, F. | | 登録日 | 2005-12-20 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006
|
|
6HWS
 | | Keap1 - inhibitor complex | | 分子名称: | 1,2-ETHANEDIOL, 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid, Kelch-like ECH-associated protein 1, ... | | 著者 | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | | 登録日 | 2018-10-13 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Keap1-inhibitor complex
To Be Published
|
|
6FMQ
 | | Keap1 - peptide complex | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ... | | 著者 | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | | 登録日 | 2018-02-02 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids.
Chembiochem, 19, 2018
|
|
6G6Y
 | | Eg5-inhibitor complex | | 分子名称: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | 著者 | Talapatra, S.K, Kozielski, F, Tham, C.L. | | 登録日 | 2018-04-03 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Eur J Med Chem, 156, 2018
|
|
4A51
 | |
