6VH6
 
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7LHZ
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | | 分子名称: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | | 著者 | Noeske, J, Shu, W, Bellamacina, C. | | 登録日 | 2021-01-26 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
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6B4L
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6B6C
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6B6E
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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6VKE
 | | Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile, CHLORIDE ION, ... | | 著者 | McLellan, J.S. | | 登録日 | 2020-01-20 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
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6VNS
 | | Crystal structure of TYK2 kinase with compound 13 | | 分子名称: | (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6VNY
 | | Crystal structure of TYK2 kinase with compound 10 | | 分子名称: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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1RBO
 | | SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE | | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE | | 著者 | Taylor, T.C, Andersson, I. | | 登録日 | 1996-10-31 | | 公開日 | 1997-03-12 | | 最終更新日 | 2018-10-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A common structural basis for the inhibition of ribulose 1,5-bisphosphate carboxylase by 4-carboxyarabinitol 1,5-bisphosphate and xylulose 1,5-bisphosphate.
J.Biol.Chem., 271, 1996
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6BBD
 | | Structure of N-glycosylated porcine surfactant protein-D complexed with glycerol | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | van Eijk, M, Rynkiewicz, M.J, Khatri, K, Leymarie, N, Zaia, J, White, M.R, Hartshorn, K.L, Cafarella, T.R, van Die, I, Hessing, M, Seaton, B.A, Haagsman, H.P. | | 登録日 | 2017-10-18 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Lectin-mediated binding and sialoglycans of porcine surfactant protein D synergistically neutralize influenza A virus.
J. Biol. Chem., 293, 2018
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6XU9
 | | Human myelin protein P2 mutant K3N | | 分子名称: | CHLORIDE ION, CITRIC ACID, Myelin P2 protein, ... | | 著者 | Ruskamo, S, Lehtimaki, M, Kursula, P. | | 登録日 | 2020-01-17 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
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6MWE
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6N5X
 | | Crystal structure of the SNX5 PX domain in complex with the CI-MPR (space group P212121 - Form 1) | | 分子名称: | GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), Sorting nexin-5,Cation-independent mannose-6-phosphate receptor | | 著者 | Collins, B, Paul, B, Weeratunga, S. | | 登録日 | 2018-11-22 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Molecular identification of a BAR domain-containing coat complex for endosomal recycling of transmembrane proteins.
Nat.Cell Biol., 21, 2019
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1RVF
 | | FAB COMPLEXED WITH INTACT HUMAN RHINOVIRUS | | 分子名称: | FAB 17-IA, HUMAN RHINOVIRUS 14 COAT PROTEIN | | 著者 | Smith, T.J. | | 登録日 | 1996-09-05 | | 公開日 | 1998-02-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Neutralizing antibody to human rhinovirus 14 penetrates the receptor-binding canyon.
Nature, 383, 1996
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6B96
 | | Crystal Structure of PDE2 in complex with compound 16 | | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | | 著者 | Lu, J. | | 登録日 | 2017-10-10 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design.
Bioorg. Med. Chem. Lett., 27, 2017
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7JU2
 | | Crystal structure of the monomeric ETV6 PNT domain | | 分子名称: | FORMIC ACID, Transcription factor ETV6 | | 著者 | Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P. | | 登録日 | 2020-08-19 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85002184 Å) | | 主引用文献 | Biophysical characterization of the ETV6 PNT domain polymerization interfaces.
J.Biol.Chem., 296, 2021
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6XTE
 | | Human karyopherin RanBP5 (isoform-1) | | 分子名称: | Antipain, CHLORIDE ION, Importin-5, ... | | 著者 | Swale, C, McCarthy, A.A, Ruigrok, R.W.H, Crepin, T. | | 登録日 | 2020-01-16 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | X-ray Structure of the Human Karyopherin RanBP5, an Essential Factor for Influenza Polymerase Nuclear Trafficking.
J.Mol.Biol., 432, 2020
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6XU5
 | | Human myelin protein P2 mutant N2D | | 分子名称: | CITRIC ACID, Myelin P2 protein, PALMITIC ACID | | 著者 | Ruskamo, S, Lehtimaki, M, Kursula, P. | | 登録日 | 2020-01-17 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
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7KBH
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6VNX
 | | Crystal structure of TYK2 kinase with compound 19 | | 分子名称: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6B68
 | | Beta-Lactamase, 100ms timepoint, mixed, shards crystal form | | 分子名称: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | 著者 | Pandey, S, Schmidt, M. | | 登録日 | 2017-10-01 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
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1RUT
 | | Complex of LMO4 LIM domains 1 and 2 with the ldb1 LID domain | | 分子名称: | Fusion protein of Lmo4 protein and LIM domain-binding protein 1, ZINC ION | | 著者 | Deane, J.E, Ryan, D.P, Maher, M.J, Kwan, A.H.Y, Bacca, M, Mackay, J.P, Guss, J.M, Visvader, J.E, Matthews, J.M. | | 登録日 | 2003-12-11 | | 公開日 | 2004-10-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Tandem LIM domains provide synergistic binding in the LMO4:Ldb1 complex
Embo J., 23, 2004
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6XBK
 | | Structure of human SMO-G111C/I496C complex with Gi | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Qi, X, Long, T, Li, X. | | 登録日 | 2020-06-06 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-11-25 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Nat.Chem.Biol., 16, 2020
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1R8J
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6XBJ
 | | Structure of human SMO-D384R complex with Gi | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Qi, X, Long, T, Li, X. | | 登録日 | 2020-06-06 | | 公開日 | 2020-09-30 | | 最終更新日 | 2020-11-25 | | 実験手法 | ELECTRON MICROSCOPY (3.88 Å) | | 主引用文献 | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Nat.Chem.Biol., 16, 2020
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