8BW1
 
 | | Yeast 20S proteasome in complex with an engineered fellutamide derivative (C14QAL) | | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Bozhueyuek, K.A.J, Praeve, L, Kegler, C, Kaiser, S, Shi, Y, Kuttenlochner, W, Schenk, L, Groll, M, Hochberg, G.K.A, Bode, H.B. | | 登録日 | 2022-12-06 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Evolution-inspired engineering of nonribosomal peptide synthetases.
Science, 383, 2024
|
|
4L7J
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | | 分子名称: | 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1 | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-13 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
|
|
7N6F
 | | Co-complex CYP46A1 with compound 3f | | 分子名称: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | | 著者 | Lane, W, Gay, S.C. | | 登録日 | 2021-06-08 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
|
|
3JUO
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (R)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | | 分子名称: | 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
8BTM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, GdmF | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2022-11-29 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
|
|
8CF9
 | | Crystal structure of the human PXR ligand-binding domain in complex with sclareol | | 分子名称: | GLYCEROL, Nuclear receptor subfamily 1 group I member 2, sclareol | | 著者 | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | 登録日 | 2023-02-03 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the human PXR ligand-binding domain in complex with sclareol
To Be Published
|
|
8CH8
 | | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate | | 分子名称: | Nuclear receptor subfamily 1 group I member 2, ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate | | 著者 | Carivenc, C, Derosa, Q, Grimaldi, M, Boulahtouf, A, Balaguer, P, Bourguet, W. | | 登録日 | 2023-02-07 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of the human PXR ligand-binding domain in complex with liranaftate
To Be Published
|
|
7NTH
 | | Structure of TAK1 in complex with compound 54 | | 分子名称: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
|
|
7NTI
 | | Structure of TAK1 in complex with compound 22 | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | 著者 | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | 登録日 | 2021-03-09 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
|
|
7O2I
 | | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 | | 分子名称: | DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | 著者 | Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. | | 登録日 | 2021-03-30 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
|
|
3JUP
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (S)-5-bromo-2-(piperidin-3-ylamino)benzoic acid | | 分子名称: | 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Jain, I.H, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
3JUM
 | | Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid | | 分子名称: | 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B | | 著者 | Mentel, M, Breinbauer, R, Blankenfeldt, W. | | 登録日 | 2009-09-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
4L7H
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | | 分子名称: | 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1, ... | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-13 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
|
|
7YW0
 | | Bacteroides fragilis Hcp5 | | 分子名称: | Bacterodales T6SS protein TssD (Hcp) | | 著者 | Wen, Y, He, W, Bai, Y. | | 登録日 | 2022-08-20 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure and assembly of type VI secretion system cargo delivery vehicle.
Cell Rep, 42, 2023
|
|
1AQI
 | | STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI | | 分子名称: | ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Schluckebier, G, Saenger, W. | | 登録日 | 1996-07-25 | | 公開日 | 1997-02-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
|
|
8CDF
 | |
5YQW
 | | Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICKEL (II) ION, ... | | 著者 | Suginta, W, Sritho, N, Ranok, A, Kitaoku, Y, Bulmer, D.M, van den Berg, B, Fukamizo, T. | | 登録日 | 2017-11-08 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marineVibriobacteria.
J. Biol. Chem., 293, 2018
|
|
2BHW
 | | PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | 著者 | Standfuss, J, Terwisscha van Scheltinga, A.C, Lamborghini, M, Kuehlbrandt, W. | | 登録日 | 2005-01-19 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanisms of Photoprotection and Nonphotochemical Quenching in Pea Light-Harvesting Complex at 2.5 A Resolution.
Embo J., 24, 2005
|
|
8CIE
 | | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | | 分子名称: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | | 著者 | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | | 登録日 | 2023-02-09 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
|
|
1CD2
 | | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | | 分子名称: | DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | | 登録日 | 1999-03-05 | | 公開日 | 2000-03-06 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
|
|
8CLJ
 | | TFIIIC TauB-DNA dimer | | 分子名称: | General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, General transcription factor 3C polypeptide 4, ... | | 著者 | Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W. | | 登録日 | 2023-02-16 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
|
|
8CLL
 | | Structural insights into human TFIIIC promoter recognition | | 分子名称: | General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, General transcription factor 3C polypeptide 4, ... | | 著者 | Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W. | | 登録日 | 2023-02-16 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
|
|
8CLI
 | | TFIIIC TauB-DNA monomer | | 分子名称: | DNA (35-MER), General transcription factor 3C polypeptide 1, General transcription factor 3C polypeptide 2, ... | | 著者 | Seifert-Davila, W, Girbig, M, Hauptmann, L, Hoffmann, T, Eustermann, S, Mueller, C.W. | | 登録日 | 2023-02-16 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-07-19 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural insights into human TFIIIC promoter recognition.
Sci Adv, 9, 2023
|
|
1FGO
 | |
7M6K
 | |
