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6YAR
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BU of 6yar by Molmil
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
6YAY
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BU of 6yay by Molmil
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
6YB3
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BU of 6yb3 by Molmil
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
6YB5
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BU of 6yb5 by Molmil
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
6YBB
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BU of 6ybb by Molmil
Crystal structure of a native BcsE (217-523) - BcsR-BcsQ (R156E mutant) complex with c-di-GMP and ATP bound
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsE, ...
著者Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
登録日2020-03-16
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
6YBU
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BU of 6ybu by Molmil
Crystal structure of a native BcsE (349-523) RQ complex with c-di-GMP and ATP bound
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-5'-TRIPHOSPHATE, Bacterial cellulose secretion regulator BcsE, ...
著者Abidi, W, Zouhir, S, Roche, S, Krasteva, P.V.
登録日2020-03-17
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Architecture and regulation of an enterobacterial cellulose secretion system.
Sci Adv, 7, 2021
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
分子名称: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
著者Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
8GKA
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BU of 8gka by Molmil
Human TRPV3 tetramer structure, closed conformation
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Lansky, S, Betancourt, J.M, Scheuring, S.
登録日2023-03-17
公開日2023-09-06
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
8GKG
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BU of 8gkg by Molmil
Human TRPV3 pentamer structure
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Lansky, S, Betancourt, J.M, Scheuring, S.
登録日2023-03-18
公開日2023-09-06
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (4.38 Å)
主引用文献A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
分子名称: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
著者Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
登録日2016-08-22
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
6YON
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BU of 6yon by Molmil
Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, SULFATE ION
著者Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A.
登録日2020-04-14
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
To Be Published
6JV4
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BU of 6jv4 by Molmil
Crystal structure of metallo-beta-lactamase VMB-1
分子名称: CITRIC ACID, VMB-1, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-04-15
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
5E4R
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BU of 5e4r by Molmil
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H.
登録日2015-10-07
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
7A8V
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BU of 7a8v by Molmil
Crystal structure of Polysaccharide monooxygenase from P.verruculosum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
著者Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A.
登録日2020-08-31
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94961083 Å)
主引用文献Crystal structure of Polysaccharide monooxygenase from P.verruculosum
To Be Published
8KDC
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BU of 8kdc by Molmil
Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in monomeric form
分子名称: MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ...
著者Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S.
登録日2023-08-09
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
8KDB
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BU of 8kdb by Molmil
Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in dimeric form
分子名称: MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ...
著者Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S.
登録日2023-08-09
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for dimerization of a paramyxovirus polymerase complex.
Nat Commun, 15, 2024
4TY9
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BU of 4ty9 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 5-(trifluoromethyl)pyridin-2-amine, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TXS
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BU of 4txs by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (4-hydroxyphenyl)acetonitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-07
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
7QXM
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BU of 7qxm by Molmil
Crystal structure of the Vibrio cholerae replicative helicase (DnaB)
分子名称: Replicative DNA helicase
著者Legrand, P, Quevillon-Cheruel, S, Walbott, H, Cargemel, C.
登録日2022-01-26
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The apo-form of the Vibrio cholerae replicative helicase DnaB is a labile and inactive planar trimer of dimers.
Febs Lett., 596, 2022
7SIM
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BU of 7sim by Molmil
Structure of positive allosteric modulator-free active human calcium-sensing receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIN
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BU of 7sin by Molmil
Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor
分子名称: 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
7SIL
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BU of 7sil by Molmil
Structure of positive allosteric modulator-bound active human calcium-sensing receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ...
著者Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R.
登録日2021-10-14
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Symmetric activation and modulation of the human calcium-sensing receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 4-(trifluoromethyl)benzoic acid, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
4TY8
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BU of 4ty8 by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 6-methyl-2H-chromen-2-one, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015

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