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7A5B
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BU of 7a5b by Molmil
Structure of DYRK1A in complex with complex 10
分子名称: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
2YEG
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BU of 2yeg by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 6-METHYLSULFANYL-9H-PURINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE5
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BU of 2ye5 by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 5-METHOXY-BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE4
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEE
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 9-ETHYL-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEF
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEC
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 3-METHYL-1H-INDAZOL-6-OL, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE7
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEH
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2XXK
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SiaP complex
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-10
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Siap Complex
To be Published
2XWK
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SiaP R147A mutant in complex with Neu5Ac
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-04
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
2XWV
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SiaP complex
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-05
公開日2011-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
2XWI
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BU of 2xwi by Molmil
SiaP R147K mutant in complex with Neu5Ac
分子名称: N-acetyl-beta-neuraminic acid, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-04
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
2XWO
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SiaP R147E mutant in complex with sialylamide
分子名称: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide, SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP
著者Fischer, M, Hubbard, R.E.
登録日2010-11-04
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Tripartite ATP-Independent Periplasmic (Trap) Transporters Use an Arginine-Mediated Selectivity Filter for High Affinity Substrate Binding.
J.Biol.Chem., 290, 2015
2YE3
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BU of 2ye3 by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL VANILLATE
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YED
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BU of 2yed by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: ADENINE, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEJ
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ...
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE9
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEI
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE2
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, SULFATE ION
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE8
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEA
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 5-(HYDROXYMETHYL)-2-METHOXYPHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEB
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 1H-INDAZOL-6-OL, CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE6
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HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: 2-AMINO-BENZAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
1BBJ
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CRYSTAL STRUCTURE OF A CHIMERIC FAB' FRAGMENT OF AN ANTIBODY BINDING TUMOUR CELLS
分子名称: IGG4-KAPPA B72.3 FAB (HEAVY CHAIN), IGG4-KAPPA B72.3 FAB (LIGHT CHAIN)
著者Brady, R.L, Hubbard, R.E, Todd, R.J.
登録日1992-04-30
公開日1994-01-31
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of a chimeric Fab' fragment of an antibody binding tumour cells.
J.Mol.Biol., 227, 1992

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