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7BBG
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BU of 7bbg by Molmil
CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06
分子名称: Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ...
著者Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J.
登録日2020-12-17
公開日2021-10-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
4AJJ
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BU of 4ajj by Molmil
rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide
分子名称: 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R.
登録日2012-02-16
公開日2012-03-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
3DXJ
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BU of 3dxj by Molmil
Crystal structure of thermus thermophilus rna polymerase holoenzyme in complex with the antibiotic myxopyronin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BACTERIAL RNA POLYMERASE BETA SUBUNIT; CHAIN C, M, ...
著者Das, K, Arnold, E.
登録日2008-07-24
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The RNA polymerase "switch region" is a target for inhibitors.
Cell(Cambridge,Mass.), 135, 2008
6RJZ
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BU of 6rjz by Molmil
Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-29
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RHC
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BU of 6rhc by Molmil
Fragment AZ-003 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-19
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKI
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BU of 6rki by Molmil
Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S39
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BU of 6s39 by Molmil
Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-24
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RNU
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BU of 6rnu by Molmil
BCL-XL in a complex with a covalent small molecule inhibitor
分子名称: 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1
著者Hargreaves, D.
登録日2019-05-09
公開日2019-10-02
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and optimization of covalent Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 29, 2019
6S3C
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BU of 6s3c by Molmil
Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-03-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SLX
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BU of 6slx by Molmil
Fragment AZ-010 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, TAZpS89, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
著者Ottmann, C, Wolter, M, Guillory, X, Genet, S, Somsen, B, Leysen, S, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.800045 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
2YWP
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BU of 2ywp by Molmil
Crystal Structure of CHK1 with a Urea Inhibitor
分子名称: 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-04-21
公開日2007-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
6ZCU
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BU of 6zcu by Molmil
syk in complex with 57262_SYKB-AZ13344324-2
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2020-06-12
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献SYK Kinase domain in complex with azabenzimidazole inhibitor 2b
To Be Published
6ZCR
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BU of 6zcr by Molmil
SYK Kinase domain in complex with azabenzimidazole inhibitor 7
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2020-06-12
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献SYK Kinase domain in complex with azabenzimidazole inhibitor 7
To Be Published
5TMF
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BU of 5tmf by Molmil
Re-refinement of thermus thermophilus RNA polymerase
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Wang, J.
登録日2016-10-12
公開日2016-11-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献On the validation of crystallographic symmetry and the quality of structures.
Protein Sci., 24, 2015
2LQR
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BU of 2lqr by Molmil
NMR structure of Ig3 domain of palladin
分子名称: Palladin
著者Beck, M.R, Dixon IV, R.D.S, Otey, C.A, Campbell, S.L, Murphy, G.S.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and Function of Palladin's Actin Binding Domain.
J.Mol.Biol., 425, 2013
2OAE
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BU of 2oae by Molmil
Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31
分子名称: Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION
著者Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P.
登録日2006-12-15
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
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