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3II3
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BU of 3ii3 by Molmil
Structure of ORF157 from Acidianus filamentous Virus 1
分子名称: GLYCEROL, NICKEL (II) ION, Putative uncharacterized protein
著者Goulet, A, Redder, P, Pina, M, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-07-31
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
6D2M
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BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, IMIDAZOLE, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2J
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BU of 6d2j by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ...
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2N
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BU of 6d2n by Molmil
Beta Carbonic anhydrase in complex with a sulfonamide anion
分子名称: Carbonic anhydrase, ZINC ION, sulfuric diamide
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
6D2O
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BU of 6d2o by Molmil
Beta Carbonic anhydrase in complex with 4-methylimidazole
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
7B0F
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BU of 7b0f by Molmil
TgoT_6G12 Binary complex
分子名称: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*TP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-19
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B06
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BU of 7b06 by Molmil
TgoT_RT521 apo
分子名称: DNA polymerase
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-18
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B08
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BU of 7b08 by Molmil
TgoT apo
分子名称: DNA polymerase, THYMIDINE-5'-TRIPHOSPHATE, TRIETHYLENE GLYCOL
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-18
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B07
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BU of 7b07 by Molmil
TgoT_6G12 apo
分子名称: CALCIUM ION, DNA polymerase
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-18
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.099 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B0G
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BU of 7b0g by Molmil
TgoT_6G12 binary with 2 hCTPs
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*TP*TP*GP*GP*CP*TP*GP*CP*CP*CP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*GP*CP*AP*GP*()P*())-3'), ...
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-19
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
7B0H
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BU of 7b0h by Molmil
TgoT_6G12 Ternary complex
分子名称: DNA (5'-D(P*AP*AP*CP*GP*GP*CP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*AP*TP*T)-3'), DNA polymerase, ...
著者Samson, C, Legrand, P, Tekpinar, M, Rozenski, J, Abramov, M, Holliger, P, Pinheiro, V, Herdewijn, P, Delarue, M.
登録日2020-11-19
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural Studies of HNA Substrate Specificity in Mutants of an Archaeal DNA Polymerase Obtained by Directed Evolution.
Biomolecules, 10, 2020
2JAA
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BU of 2jaa by Molmil
SeMet substituted Shigella Flexneri Ipad
分子名称: INVASIN IPAD
著者Johnson, S, Roversi, P, Espina, M, Olive, A, Deane, J.E, Birket, S, Field, T, Picking, W.D, Blocker, A.J, Galyov, E.E, Picking, W.L, Lea, S.M.
登録日2006-11-24
公開日2006-11-30
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd.
J.Biol.Chem., 282, 2007
3II2
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BU of 3ii2 by Molmil
Structure of ORF157 from Acidianus Filamentous Virus 1
分子名称: CHLORIDE ION, GLYCEROL, MERCURY (II) ION, ...
著者Goulet, A, Porciero, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-07-31
公開日2010-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
3ILD
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BU of 3ild by Molmil
Structure of ORF157-K57A from Acidianus filamentous virus 1
分子名称: MAGNESIUM ION, Putative uncharacterized protein
著者Goulet, A, Lichiere, J, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-08-07
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
3ILE
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BU of 3ile by Molmil
Crystal structure of ORF157-E86A of Acidianus filamentous virus 1
分子名称: NICKEL (II) ION, Putative uncharacterized protein
著者Goulet, A, Lichiere, J, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V.
登録日2009-08-07
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
7PCD
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BU of 7pcd by Molmil
HER2 IN COMPLEX WITH A COVALENT INHIBITOR
分子名称: 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one, Receptor tyrosine-protein kinase erbB-2
著者Bader, G.
登録日2021-08-03
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.
Nat Cancer, 3, 2022
4RFD
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BU of 4rfd by Molmil
Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium
分子名称: 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ...
著者Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
4RFC
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BU of 4rfc by Molmil
Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
分子名称: Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
著者Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
2J0N
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BU of 2j0n by Molmil
A proteolytically truncated form of Shigella Flexneri IpaD
分子名称: INVASIN IPAD
著者Johnson, S, Roversi, P, Lea, S.M.
登録日2006-08-03
公開日2006-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Self-chaperoning of the type III secretion system needle tip proteins IpaD and BipD.
J. Biol. Chem., 282, 2007
2J0O
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BU of 2j0o by Molmil
Shigella Flexneri IpaD
分子名称: GLYCEROL, INVASIN IPAD
著者Johnson, S, Roversi, P, Lea, S.M.
登録日2006-08-04
公開日2006-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Self-chaperoning of the type III secretion system needle tip proteins IpaD and BipD.
J. Biol. Chem., 282, 2007
4D3E
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BU of 4d3e by Molmil
Tetramer of IpaD, modified from 2J0O, fitted into negative stain electron microscopy reconstruction of the wild type tip complex from the type III secretion system of Shigella flexneri
分子名称: INVASIN IPAD
著者Cheung, M, Shen, D.-K, Makino, F, Kato, T, Roehrich, D, Martinez-Argudo, I, Walker, M.L, Murillo, I, Liu, X, Pain, M, Brown, J, Frazer, G, Mantell, J, Mina, P, Todd, T, Sessions, R.B, Namba, K, Blocker, A.J.
登録日2014-10-21
公開日2014-12-10
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (24 Å)
主引用文献Three-Dimensional Electron Microscopy Reconstruction and Cysteine-Mediated Crosslinking Provide a Model of the T3Ss Needle Tip Complex.
Mol.Microbiol., 95, 2015
4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
分子名称: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Pinard, M.A, Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6I8Z
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BU of 6i8z by Molmil
Crystal structure of PTK2 in complex with BI-4464.
分子名称: 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1
著者Bader, G, Zoephel, A.
登録日2018-11-21
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions.
J.Med.Chem., 62, 2019

 

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