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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者Liu, Y, Ruan, K.
登録日2021-09-30
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7YSK
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BU of 7ysk by Molmil
Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum
分子名称: D-Cysteine desulfhydrase
著者Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-08-12
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7YSL
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BU of 7ysl by Molmil
Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine
分子名称: 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID
著者Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J.
登録日2022-08-12
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
7E8I
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BU of 7e8i by Molmil
Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin
分子名称: BRCA1-associated RING domain protein 1, DNA (145-MER), Histone H2A, ...
著者Dai, Y, Dai, L, Zhou, Z.
登録日2021-03-01
公開日2021-06-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin.
Mol.Cell, 81, 2021
7W3X
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BU of 7w3x by Molmil
Cryo-EM structure of plant receptor like protein RXEG1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-localized LRR receptor-like protein, ...
著者Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
登録日2021-11-26
公開日2022-06-22
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3V
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BU of 7w3v by Molmil
Plant receptor like protein RXEG1 in complex with xyloglucanase XEG1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ...
著者Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
登録日2021-11-26
公開日2022-06-22
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3T
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BU of 7w3t by Molmil
Cryo-EM structure of plant receptor like kinase NbBAK1 in RXEG1-BAK1-XEG1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
登録日2021-11-26
公開日2022-06-22
最終更新日2022-10-26
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
2KNG
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BU of 2kng by Molmil
Solution structure of C-domain of Lsr2
分子名称: Protein lsr2
著者Li, Y, Xia, B.
登録日2009-08-22
公開日2010-03-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Lsr2 is a nucleoid-associated protein that targets AT-rich sequences and virulence genes in Mycobacterium tuberculosis
Proc.Natl.Acad.Sci.USA, 2010
4KFN
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BU of 4kfn by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
7F6D
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BU of 7f6d by Molmil
Reconstruction of the HerA-NurA complex from Deinococcus radiodurans
分子名称: HerA, NurA
著者Xu, Y, Xu, L, Guo, J, Hua, Y, Zhao, Y.
登録日2021-06-25
公開日2022-06-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Mechanisms of helicase activated DNA end resection in bacteria.
Structure, 30, 2022
3EFW
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BU of 3efw by Molmil
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
分子名称: 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
著者Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
登録日2008-09-10
公開日2008-12-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3E73
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BU of 3e73 by Molmil
Crystal Structure of Human LanCL1 complexed with GSH
分子名称: GLUTATHIONE, LanC-like protein 1, ZINC ION
著者Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
登録日2008-08-17
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
3E6U
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BU of 3e6u by Molmil
Crystal structure of Human LanCL1
分子名称: LanC-like protein 1, ZINC ION
著者Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
登録日2008-08-16
公開日2009-06-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
分子名称: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Zhou, Z, Xu, Z.
登録日2017-06-12
公開日2017-08-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XWW
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BU of 5xww by Molmil
Substrate-bound Structure of G355T/Q364H mutant of a Ketoreductase from amphotericin Polyketide Synthases
分子名称: AmphB, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
著者Liu, C, Zheng, J.
登録日2017-06-30
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Substrate-bound structures of a ketoreductase from amphotericin modular polyketide synthase.
J. Struct. Biol., 203, 2018
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
分子名称: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2017-06-07
公開日2017-08-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XWV
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BU of 5xwv by Molmil
Substrate-bound Structure of a Ketoreductase from the Second Module of the amphotericin Polyketide Synthases
分子名称: AmphB, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
著者Liu, C, Zheng, J.
登録日2017-06-30
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Substrate-bound structures of a ketoreductase from amphotericin modular polyketide synthase.
J. Struct. Biol., 203, 2018
5YAT
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BU of 5yat by Molmil
Crystal structure of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Mitochondrial alcohol dehydrogenase isozyme III, ...
著者Zhang, H.D, Li, Q.
登録日2017-09-01
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Investigation of structure and function of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115.
Biochim. Biophys. Acta, 1862, 2018
4JOD
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BU of 4jod by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysophosphatidic acid phosphatase type 6
著者Li, J.
登録日2013-03-18
公開日2013-07-10
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6.
Protein Cell, 4, 2013
3CJW
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BU of 3cjw by Molmil
Crystal structure of the human COUP-TFII ligand binding domain
分子名称: COUP transcription factor 2
著者Kruse, S.W, Reynolds, R, Vonrhein, C, Xu, H.E.
登録日2008-03-14
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Identification of COUP-TFII Orphan Nuclear Receptor as a Retinoic Acid-Activated Receptor.
Plos Biol., 6, 2008
5XYN
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BU of 5xyn by Molmil
The crystal structure of Csm2-Psy3-Shu1-Shu2 complex from budding yeast
分子名称: Chromosome segregation in meiosis protein 2, Platinum sensitivity protein 3, Suppressor of HU sensitivity involved in recombination protein 1, ...
著者Zhang, S, Zhang, T, Ding, J.
登録日2017-07-09
公開日2017-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for the functional role of the Shu complex in homologous recombination.
Nucleic Acids Res., 45, 2017
5YDR
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BU of 5ydr by Molmil
Structure of DNMT1 RFTS domain in complex with ubiquitin
分子名称: DNA (cytosine-5)-methyltransferase 1, PHOSPHATE ION, Polyubiquitin-B, ...
著者Qian, C.
登録日2017-09-14
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural and mechanistic insights into UHRF1-mediated DNMT1 activation in the maintenance DNA methylation.
Nucleic Acids Res., 46, 2018

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