Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 76 件
4YPA
DownloadVisualize
BU of 4ypa by Molmil
ASH1L SET domain Q2265A mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
6C3N
DownloadVisualize
BU of 6c3n by Molmil
Crystal structure of BCL6 BTB domain in complex with compound 7CC5
分子名称: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
著者Linhares, B, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53170586 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3L
DownloadVisualize
BU of 6c3l by Molmil
Crystal structure of BCL6 BTB domain with compound 15f
分子名称: B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
著者Linhares, B, Cheng, H, Cierpicki, T, Xue, F.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46092153 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6BXH
DownloadVisualize
BU of 6bxh by Molmil
Menin in complex with MI-853
分子名称: 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
著者Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-18
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Menin in complex with MI-853
To Be Published
6CQ1
DownloadVisualize
BU of 6cq1 by Molmil
BCL6 BTB domain in complex with 15a
分子名称: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein
著者Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-03-14
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69921041 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
5DB0
DownloadVisualize
BU of 5db0 by Molmil
Menin in complex with MI-352
分子名称: 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
2KNH
DownloadVisualize
BU of 2knh by Molmil
The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide
分子名称: Protein CBFA2T1, Transcription factor 12
著者Park, S, Cierpicki, T, Tonelli, M, Bushweller, J.H.
登録日2009-08-25
公開日2009-10-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the AML1-ETO eTAFH domain-HEB peptide complex and its contribution to AML1-ETO activity.
Blood, 113, 2009
5DB3
DownloadVisualize
BU of 5db3 by Molmil
Menin in complex with MI-574
分子名称: 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB2
DownloadVisualize
BU of 5db2 by Molmil
Menin in complex with MI-389
分子名称: 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
5DB1
DownloadVisualize
BU of 5db1 by Molmil
Menin in complex with MI-336
分子名称: 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
4YNP
DownloadVisualize
BU of 4ynp by Molmil
ASH1L SET domain S2259M mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-10
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
4YNM
DownloadVisualize
BU of 4ynm by Molmil
ASH1L wild-type SET domain in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-10
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
4YPE
DownloadVisualize
BU of 4ype by Molmil
ASH1L SET domain H2193F mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
4YPU
DownloadVisualize
BU of 4ypu by Molmil
ASH1L SET domain K2264L mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-13
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
2LM0
DownloadVisualize
BU of 2lm0 by Molmil
Solution structure of the AF4-AF9 complex
分子名称: AF4/FMR2 family member 1/Protein AF-9 chimera
著者Leach, B.I, Kuntimaddi, A, Schmidt, C.R, Cierpicki, T, Johnson, S.A, Bushweller, J.H.
登録日2011-11-18
公開日2013-01-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Leukemia Fusion Target AF9 Is an Intrinsically Disordered Transcriptional Regulator that Recruits Multiple Partners via Coupled Folding and Binding.
Structure, 21, 2013
5DDB
DownloadVisualize
BU of 5ddb by Molmil
Menin in complex with MI-319
分子名称: 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5DDF
DownloadVisualize
BU of 5ddf by Molmil
Menin in complex with MI-273
分子名称: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
2K73
DownloadVisualize
BU of 2k73 by Molmil
Solution NMR structure of integral membrane protein DsbB
分子名称: Disulfide bond formation protein B
著者Zhou, Y, Cierpicki, T, Flores Jimenez, R.H, Lukasik, S.M, Ellena, J.F, Cafiso, D.S, Kadokura, H, Beckwith, J, Bushweller, J.H.
登録日2008-08-01
公開日2008-10-07
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献NMR solution structure of the integral membrane enzyme DsbB: functional insights into DsbB-catalyzed disulfide bond formation.
Mol.Cell, 31, 2008
5DDD
DownloadVisualize
BU of 5ddd by Molmil
menin in complex with MI-836
分子名称: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5DD9
DownloadVisualize
BU of 5dd9 by Molmil
Menin in complex with MI-326
分子名称: 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5DDE
DownloadVisualize
BU of 5dde by Molmil
Menin in complex with MI-859
分子名称: 1,2-ETHANEDIOL, 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
2K74
DownloadVisualize
BU of 2k74 by Molmil
Solution NMR structure of DsbB-ubiquinone complex
分子名称: Disulfide bond formation protein B, UBIQUINONE-2
著者Zhou, Y, Cierpicki, T, Flores Jimenez, R.H, Lukasik, S.M, Ellena, J.F, Cafiso, D.S, Kadokura, H, Beckwith, J, Bushweller, J.H.
登録日2008-08-01
公開日2008-10-07
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献NMR solution structure of the integral membrane enzyme DsbB: functional insights into DsbB-catalyzed disulfide bond formation.
Mol.Cell, 31, 2008
5DDC
DownloadVisualize
BU of 5ddc by Molmil
Menin in complex with MI-2-3
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5DDA
DownloadVisualize
BU of 5dda by Molmil
Menin in complex with MI-333
分子名称: 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
登録日2015-08-24
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
1MG4
DownloadVisualize
BU of 1mg4 by Molmil
STRUCTURE OF N-TERMINAL DOUBLECORTIN DOMAIN FROM DCLK: WILD TYPE PROTEIN
分子名称: DOUBLECORTIN-LIKE KINASE (N-TERMINAL DOMAIN), SULFATE ION
著者Kim, M.H, Cierpickil, T, Derewenda, U, Krowarsch, D, Feng, Y, Devedjiev, Y, Dauter, Z, Walsh, C.A, Otlewski, J, Bushweller, J.H, Derewenda, Z.
登録日2002-08-14
公開日2003-04-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献The DCX-domain Tandems of Doublecortin and Doublecortin-like Kinase
Nat.Struct.Biol., 10, 2003

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon