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1KMQ
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BU of 1kmq by Molmil
Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L)
分子名称: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
登録日2001-12-17
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4PV5
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BU of 4pv5 by Molmil
Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid
分子名称: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P.
登録日2014-03-15
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36, 2015
4QH7
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BU of 4qh7 by Molmil
LC8 - Ana2 (159-168) Complex
分子名称: Anastral spindle 2, Dynein light chain 1, cytoplasmic
著者Slevin, L.K, Romes, E.R, Slep, K.C.
登録日2014-05-27
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor.
J.Biol.Chem., 289, 2014
1LB1
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BU of 1lb1 by Molmil
Crystal Structure of the Dbl and Pleckstrin homology domains of Dbs in complex with RhoA
分子名称: Guanine nucleotide exchange factor DBS, Transforming protein RhoA
著者Snyder, J.T, Worthylake, D.K, Rossman, K.L, Betts, L, Pruitt, W.M, Siderovski, D.P, Der, C.J, Sondek, J.
登録日2002-04-01
公開日2002-05-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural basis for the selective activation of Rho GTPases by Dbl exchange factors.
Nat.Struct.Biol., 9, 2002
4ARZ
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BU of 4arz by Molmil
The crystal structure of Gtr1p-Gtr2p complexed with GTP-GDP
分子名称: GTP-BINDING PROTEIN GTR1, GTP-BINDING PROTEIN GTR2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jeong, J.H, Kim, Y.G.
登録日2012-04-27
公開日2012-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the Gtr1Pgtp-Gtr2Pgdp Complex Reveals Large Structural Rearrangements Triggered by GTP-to-Gdp Conversion
J.Biol.Chem., 287, 2012
1FTN
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BU of 1ftn by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA (H12)
著者Wei, Y, Zhang, Y, Derewenda, U, Liu, X, Minor, W, Nakamoto, R.K, Somlyo, A.V, Somlyo, A.P, Derewenda, Z.S.
登録日1997-03-13
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of RhoA-GDP and its functional implications.
Nat.Struct.Biol., 4, 1997
7PT7
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BU of 7pt7 by Molmil
Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ADP:BeF3, state I
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 7, ...
著者Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
登録日2021-09-26
公開日2022-06-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PT6
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Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ATPgS, state III
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ...
著者Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
登録日2021-09-26
公開日2022-06-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PPH
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CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10
分子名称: GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
3FJK
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BU of 3fjk by Molmil
Crystal structure of A66C mutant of Human acidic fibroblast growth factor
分子名称: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
著者Blaber, M, Lee, J.
登録日2008-12-14
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
7PPI
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BU of 7ppi by Molmil
Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11
分子名称: CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPE
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BU of 7ppe by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1
分子名称: GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPF
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BU of 7ppf by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8
分子名称: 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
2KZ5
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BU of 2kz5 by Molmil
Solution NMR Structure of Transcription factor NF-E2 subunit's DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium Target HR4653B
分子名称: Transcription factor NF-E2 45 kDa subunit
著者Liu, G, Janjua, H, Xiao, R, Ciccosanti, C, Shastry, R, Acton, T.B, Tong, S, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-11
公開日2010-07-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR4653B
To be Published
7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
分子名称: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Hillig, R.C.
登録日2021-09-13
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
分子名称: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
著者Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2020-12-04
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
7POZ
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BU of 7poz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone deacetylase 8, ...
著者Saccoccia, F, Ruberti, G.
登録日2021-09-10
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
著者Somsen, B.A, Ottmann, C.
登録日2021-03-25
公開日2021-10-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
5CL1
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BU of 5cl1 by Molmil
Complex structure of Norrin with human Frizzled 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Maltose-binding periplasmic protein,Norrin
著者Wang, Z, Ke, J, Shen, G, Cheng, Z, Xu, H.E, Xu, W.
登録日2015-07-16
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
7VIG
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BU of 7vig by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
分子名称: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, 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Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
登録日2021-09-26
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIE
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BU of 7vie by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
登録日2021-09-26
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIF
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Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with (S)-FTY720-P
分子名称: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, 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Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
登録日2021-09-26
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIH
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BU of 7vih by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
分子名称: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, 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Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
登録日2021-09-26
公開日2022-09-28
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7O7K
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BU of 7o7k by Molmil
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7I
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Crystal structure of the human HIPK3 kinase domain
分子名称: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
著者Kaltheuner, I.H, Anand, K, Geyer, M.
登録日2021-04-13
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021

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件を2024-08-07に公開中

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