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7FAS
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BU of 7fas by Molmil
VAR2CSA 3D7 ectodomain core region
分子名称: Erythrocyte membrane protein 1, PfEMP1
著者Wang, L, Zhaoning, W.
登録日2021-07-07
公開日2021-11-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
2V3A
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BU of 2v3a by Molmil
Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
登録日2007-06-14
公開日2007-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V3B
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BU of 2v3b by Molmil
Crystal structure of the electron transfer complex rubredoxin - rubredoxin reductase from Pseudomonas aeruginosa.
分子名称: FE (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, RUBREDOXIN 2, ...
著者Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D.
登録日2007-06-14
公開日2007-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V3P
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BU of 2v3p by Molmil
Crystallographic analysis of beta-axial ligand substitutions in cobalamin bound to transcobalamin
分子名称: CHLORIDE ION, COBALAMIN, SULFITE ION, ...
著者Wuerges, J, Geremia, S, Randaccio, L.
登録日2007-06-19
公開日2007-10-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin.
Iubmb Life, 59, 2007
355D
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BU of 355d by Molmil
THE B-DNA DODECAMER AT HIGH RESOLUTION
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE
著者Hu, L.D, Shui, X, McFail-Isom, L, Williams, G.G.
登録日1997-10-07
公開日1997-10-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The B-DNA dodecamer at high resolution reveals a spine of water on sodium.
Biochemistry, 37, 1998
2WG1
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BU of 2wg1 by Molmil
TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
登録日2009-04-15
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2VS7
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BU of 2vs7 by Molmil
The crystal structure of I-DmoI in complex with DNA and Ca
分子名称: 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP *CP*TP*TP*AP*CP*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP *GP*TP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*G)-3', ACETATE ION, ...
著者Marcaida, M.J, Prieto, J, Redondo, P, Nadra, A.D, Alibes, A, Serrano, L, Grizot, S, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G.
登録日2008-04-21
公開日2008-11-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of I-Dmoi in Complex with its Target DNA Provides New Insights Into Meganuclease Engineering.
Proc.Natl.Acad.Sci.USA, 105, 2008
2W1F
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BU of 2w1f by Molmil
Structure determination of Aurora Kinase in complex with inhibitor
分子名称: N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
6YPO
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BU of 6ypo by Molmil
Arabidopsis aspartate transcarbamoylase bound to UMP
分子名称: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-16
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YS6
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BU of 6ys6 by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA
分子名称: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB, ...
著者Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
登録日2020-04-21
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
3AJN
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BU of 3ajn by Molmil
Structural basis of glycine amide on suppression of protein aggregation by high resolution X-ray analysis
分子名称: AMINOMETHYLAMIDE, CHLORIDE ION, Lysozyme C, ...
著者Ito, L, Shiraki, K, Hasegawa, K, Kumasaka, T.
登録日2010-06-09
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Glycine amide shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation
Febs Lett., 585, 2011
2WFZ
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BU of 2wfz by Molmil
NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN
分子名称: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
登録日2009-04-15
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
6Y7L
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BU of 6y7l by Molmil
Structure of the BRD9 bromodomain and TP-472
分子名称: 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
3F64
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BU of 3f64 by Molmil
F17a-G lectin domain with bound GlcNAc(beta1-O)paranitrophenyl ligand
分子名称: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, F17a-G
著者Buts, L, De Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J.
登録日2008-11-05
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli.
Biology (Basel), 2, 2013
6Y7H
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BU of 6y7h by Molmil
Structure of the BRD9 bromodomain and compound 11
分子名称: 1,2-ETHANEDIOL, 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-02-29
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the human RAB3C in complex with GDP
To Be Published
2YNF
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BU of 2ynf by Molmil
HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
6Y7I
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BU of 6y7i by Molmil
Structure of the BRD9 bromodomain and compound 2
分子名称: 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
2YNI
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HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-15
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
6YAV
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BU of 6yav by Molmil
Structure of FeSII (Shethna) protein from Azotobacter vinelandii
分子名称: Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Kabasakal, B.V, Kung, W.K.A, Cotton, C.A.R, Lieber, L, McFarlane, C.R, Murray, J.W.
登録日2020-03-13
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of FeSII (Shethna) protein from Azotobacter vinelandii
To Be Published
3SKM
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BU of 3skm by Molmil
Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
著者Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
登録日2011-06-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
6Y7J
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BU of 6y7j by Molmil
Structure of the BRD9 bromodomain and compound 15
分子名称: 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7K
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Structure of the BRD9 bromodomain and compound 27
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6YB1
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Crystal structure of an antiparallel octameric transmembrane coiled coil K2-CCTM-VbIc
分子名称: GLYCINE, K2-CCTM-VbIc, NONAETHYLENE GLYCOL
著者Kratochvil, H.T, Liu, L, Scott, A.J, Woolfson, D.N, DeGrado, W.F.
登録日2020-03-15
公開日2021-04-07
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
2W1C
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009

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