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3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
6JBR
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BU of 6jbr by Molmil
Tps1/UDP/T6P complex
分子名称: 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
6JAK
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BU of 6jak by Molmil
OtsA apo structure
分子名称: Trehalose-6-phosphate synthase
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-24
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JBI
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BU of 6jbi by Molmil
Structure of Tps1 apo structure
分子名称: Trehalose-6-phosphate synthase
著者Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J.
登録日2019-01-25
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6JBW
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BU of 6jbw by Molmil
Structure of Tps1/UDP complex
分子名称: Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE
著者Wang, S, Zhao, Y, Wang, D, Liu, J.
登録日2019-01-26
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
6QZ9
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BU of 6qz9 by Molmil
The cryo-EM structure of the collar complex and tail axis in bacteriophage phi29
分子名称: Portal protein, Pre-neck appendage protein, Proximal tail tube connector protein
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-11
公開日2019-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QYZ
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BU of 6qyz by Molmil
The cryo-EM structure of prohead RNA in bacteriophage phi29 prohead
分子名称: the prohead RNA (71-MER) in bacteriophage phi29
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-10
公開日2019-06-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QZ0
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BU of 6qz0 by Molmil
The cryo-EM structure of the head of the genome empited bacteriophage phi29
分子名称: Capsid fiber protein, Major capsid protein
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-10
公開日2019-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QYM
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BU of 6qym by Molmil
The cryo-EM structure of the connector of the genome empited bacteriophage phi29
分子名称: Portal protein
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-09
公開日2019-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QZF
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BU of 6qzf by Molmil
The cryo-EM structure of the collar complex and tail axis in genome emptied bacteriophage phi29
分子名称: Portal protein, Pre-neck appendage protein, Proximal tail tube connector protein
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-11
公開日2019-06-12
最終更新日2019-10-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QYY
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BU of 6qyy by Molmil
The crystal structure of head fiber gp8.5 N base in bacteriophage phi29
分子名称: Capsid fiber protein, SULFATE ION
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-10
公開日2019-06-12
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
6QYJ
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BU of 6qyj by Molmil
The cryo-EM structure of the connector of the mature bacteriophage phi29
分子名称: Portal protein
著者Xu, J, Wang, D, Gui, M, Xiang, Y.
登録日2019-03-09
公開日2019-06-12
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural assembly of the tailed bacteriophage φ29.
Nat Commun, 10, 2019
7KED
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BU of 7ked by Molmil
RNA polymerase II elongation complex with unnatural base dTPT3
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Oh, J, Wang, W, Wang, D.
登録日2020-10-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
4DIU
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BU of 4diu by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
分子名称: Engineered Protein PF00326
著者Seetharaman, J, Lew, S, Wang, D, Kohan, E, Patel, D, Whitehead, T, Fleishman, S, Ciccosanti, C, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-01-31
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
To be Published
8DH4
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BU of 8dh4 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-DsTP pair
分子名称: (7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine, MAGNESIUM ION, Non-template strand DNA, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH3
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BU of 8dh3 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa
分子名称: Non-template strand DNA, RNA, T7 RNA polymerase, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH1
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BU of 8dh1 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair
分子名称: 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH0
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BU of 8dh0 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs
分子名称: GLYCEROL, Non-template strand DNA, RNA, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH5
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BU of 8dh5 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-ATP mismatch
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-template strand DNA, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH2
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BU of 8dh2 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-ATP mismatch
分子名称: GLYCEROL, MAGNESIUM ION, Non-template strand DNA, ...
著者Oh, J, Wang, D.
登録日2022-06-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
4CAS
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BU of 4cas by Molmil
Serial femtosecond crystallography structure of a photosynthetic reaction center
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
著者Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R.
登録日2013-10-09
公開日2013-12-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
4O9R
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BU of 4o9r by Molmil
Human Smoothened Receptor structure in complex with cyclopamine
分子名称: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
著者Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
登録日2014-01-02
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
7AIO
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BU of 7aio by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC)
登録日2020-09-28
公開日2021-06-02
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
7AIN
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BU of 7ain by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Reference Map)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC)
登録日2020-09-28
公開日2021-06-02
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021

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