153D
 
 | | CRYSTAL STRUCTURE OF A MISPAIRED DODECAMER, D(CGAGAATTC(O6ME)GCG)2, CONTAINING A CARCINOGENIC O6-METHYLGUANINE | | 分子名称: | DNA (5'-D(*CP*GP*AP*GP*AP*AP*TP*TP*CP*(6OG)P*CP*G)-3') | | 著者 | Ginell, S.L, Vojtechovsky, J, Gaffney, B, Jones, R, Berman, H.M. | | 登録日 | 1993-12-16 | | 公開日 | 1994-01-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of a mispaired dodecamer, d(CGAGAATTC(O6Me)GCG)2, containing a carcinogenic O6-methylguanine
Biochemistry, 33, 1994
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210D
 | | CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A)CG] AND ITS PLATINATED DERIVATIVE | | 分子名称: | DNA (5'-D(*CP*GP*TP*(1AP)P*CP*G)-3'), SPERMINE | | 著者 | Parkinson, G.N, Arvantis, G.M, Lessinger, L, Ginell, S.L, Jones, R, Gaffney, B, Berman, H.M. | | 登録日 | 1995-06-13 | | 公開日 | 1996-03-22 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal and molecular structure of a new Z-DNA crystal form: d[CGT(2-NH2-A)CG] and its platinated derivative.
Biochemistry, 34, 1995
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211D
 | | THE CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A) CG] AND ITS PLATINATED DERIVATIVE | | 分子名称: | DNA (5'-D(*CP*GP*TP*(1AP)P*CP*(PT(NH3)3)G)-3'), PLATINUM TRIAMINE ION, SPERMINE | | 著者 | Parkinson, G.N, Arvantis, G.M, Lessinger, L, Ginell, S.L, Jones, R, Gaffney, B, Berman, H.M. | | 登録日 | 1995-06-13 | | 公開日 | 1996-03-22 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal and molecular structure of a new Z-DNA crystal form: d[CGT(2-NH2-A)CG] and its platinated derivative.
Biochemistry, 34, 1995
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2KPD
 | | Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV-mutant | | 分子名称: | RNA (5'-R(*UP*GP*AP*GP*CP*UP*CP*AP*GP*UP*UP*UP*GP*CP*UP*CP*A)-3') | | 著者 | Lescrinier, E, Dyubankova, N, Nauwelaerts, K, Jones, R, Herdewijn, P. | | 登録日 | 2009-10-12 | | 公開日 | 2010-06-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure Determination of the Top-Loop of the Conserved 3'-Terminal Secondary Structure in the Genome of Flaviviruses.
Chembiochem, 11, 2010
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2KPC
 | | Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV | | 分子名称: | RNA (5'-R(*UP*GP*AP*GP*CP*AP*CP*AP*GP*UP*UP*UP*GP*CP*UP*CP*A)-3') | | 著者 | Lescrinier, E, Dyubankova, N, Nauwelaerts, K, Jones, R, Herdewijn, P. | | 登録日 | 2009-10-12 | | 公開日 | 2010-06-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure Determination of the Top-Loop of the Conserved 3'-Terminal Secondary Structure in the Genome of Flaviviruses.
Chembiochem, 11, 2010
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | 分子名称: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Musil, D, Toure, M. | | 登録日 | 2023-02-09 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.821 Å) | | 主引用文献 | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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8CDW
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6Y7Q
 | | Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Potassium voltage-gated channel subfamily H member 7 | | 著者 | Cresser-Brown, J, Raven, E, Moody, P. | | 登録日 | 2020-03-02 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery of a heme-binding domain in a neuronal voltage-gated potassium channel.
J.Biol.Chem., 295, 2020
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6N9P
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6DI0
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | 分子名称: | 6-(cyclohexylamino)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | MOCHALKIN, I. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
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3P08
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6DI1
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND | | 分子名称: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Jiang, X. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-17 | | 最終更新日 | 2018-10-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
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8DD5
 | | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | | 分子名称: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | | 著者 | Greasley, S.E, Johnson, E, Brodsky, O. | | 登録日 | 2022-06-17 | | 公開日 | 2023-07-05 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
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2YBY
 | | Structure of domains 6 and 7 of the mouse complement regulator Factor H | | 分子名称: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H | | 著者 | Everett, R.J, Caesar, J.J.E, Johnson, S.J, Tang, C.M, Lea, S.M. | | 登録日 | 2011-03-30 | | 公開日 | 2012-04-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules.
Plos Pathog., 8, 2012
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6DI5
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | | 分子名称: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2018-05-22 | | 公開日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI9
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-23 | | 公開日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI3
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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2Y7L
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2YLH
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2Y7M
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2Y7O
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7KXL
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXO
 | | BTK1 SOAKED WITH COMPOUND 24 | | 分子名称: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | | 著者 | Viacava Follis, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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4LEB
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4LEE
 | | Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F | | 分子名称: | Agglutinin-like protein 3 | | 著者 | Lin, J, Garnett, J.A, Cota, E. | | 登録日 | 2013-06-25 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Peptide-binding Cavity Is Essential for Als3-mediated Adhesion of Candida albicans to Human Cells.
J.Biol.Chem., 289, 2014
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