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: 31 件
4B1F
DownloadVisualize
BU of 4b1f by Molmil
Design of Inhibitors of Helicobacter pylori Glutamate Racemase as Selective Antibacterial Agents: Incorporation of Imidazoles onto a Core Pyrazolopyrimidinedione Scaffold to Improve Bioavailabilty
分子名称: 5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, D-GLUTAMIC ACID, GLUTAMATE RACEMASE
著者Basarab, G.S, Hill, P, Eyermann, C.J, Gowravaram, M, Kack, H, Osimoni, E.
登録日2012-07-10
公開日2012-07-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design of Inhibitors of Helicobacter Pylori Glutamate Racemase as Selective Antibacterial Agents: Incorporation of Imidazoles Onto a Core Pyrazolopyrimidinedione Scaffold to Improve Bioavailabilty.
Bioorg.Med.Chem.Lett., 22, 2012
4MCB
DownloadVisualize
BU of 4mcb by Molmil
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ...
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
4MCC
DownloadVisualize
BU of 4mcc by Molmil
HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
分子名称: N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Olivier, N.B, Hill, P.
登録日2013-08-21
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
5HO7
DownloadVisualize
BU of 5ho7 by Molmil
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
分子名称: 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION
著者Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U.
登録日2016-01-19
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4AJD
DownloadVisualize
BU of 4ajd by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJM
DownloadVisualize
BU of 4ajm by Molmil
Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors
分子名称: 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
4AJF
DownloadVisualize
BU of 4ajf by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4AJG
DownloadVisualize
BU of 4ajg by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4BTK
DownloadVisualize
BU of 4btk by Molmil
TTBK1 in complex with inhibitor
分子名称: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
3GSX
DownloadVisualize
BU of 3gsx by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSW
DownloadVisualize
BU of 3gsw by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8A (NLVPMVAAV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GMD
DownloadVisualize
BU of 3gmd by Molmil
Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I
分子名称: 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D.
登録日2009-03-13
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I.
Bioorg.Med.Chem.Lett., 22, 2012
3GSR
DownloadVisualize
BU of 3gsr by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5V peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5V (NLVPVVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSV
DownloadVisualize
BU of 3gsv by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5Q peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5Q (NLVPQVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSN
DownloadVisualize
BU of 3gsn by Molmil
Crystal structure of the public RA14 TCR in complex with the HCMV dominant NLV/HLA-A2 epitope
分子名称: Beta-2-microglobulin, CHLORIDE ION, HCMV pp65 fragment 495-503 (NLVPMVATV), ...
著者Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSU
DownloadVisualize
BU of 3gsu by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5T peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5T (NLVPTVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSO
DownloadVisualize
BU of 3gso by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV peptide
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503 (NLVPMVATV), HLA class I histocompatibility antigen, ...
著者Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3GSQ
DownloadVisualize
BU of 3gsq by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant
分子名称: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ...
著者Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
登録日2009-03-27
公開日2009-08-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
5G46
DownloadVisualize
BU of 5g46 by Molmil
Ligand complex of RORg LBD
分子名称: 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5G43
DownloadVisualize
BU of 5g43 by Molmil
Ligand complex of RORg LBD
分子名称: 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
4BTJ
DownloadVisualize
BU of 4btj by Molmil
TTBK1 in complex with ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
5G44
DownloadVisualize
BU of 5g44 by Molmil
Ligand complex of RORg LBD
分子名称: (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
4BTM
DownloadVisualize
BU of 4btm by Molmil
TTBK1 in complex with inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4B2D
DownloadVisualize
BU of 4b2d by Molmil
human PKM2 with L-serine and FBP bound.
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ...
著者Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E.
登録日2012-07-13
公開日2012-10-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serine is a natural ligand and allosteric activator of pyruvate kinase M2.
Nature, 491, 2012
5G42
DownloadVisualize
BU of 5g42 by Molmil
Ligand complex of RORg LBD
分子名称: 5-chloranyl-2,3-dihydroindole-1-carboxamide, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016

 

12>

222624

件を2024-07-17に公開中

PDB statisticsPDBj update infoContact PDBjnumon