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2C5N
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Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
著者Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M.
登録日2005-10-30
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C6K
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Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
分子名称: 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2005-11-10
公開日2005-12-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
2C69
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Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor
分子名称: (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE, CELL DIVISION PROTEIN KINASE 2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2005-11-08
公開日2005-12-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.
Bioorg. Med. Chem. Lett., 16, 2006
2R7V
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Crystal Structure of Rotavirus SA11 VP1/RNA (GGCUUU) Complex
分子名称: RNA (5'-R(*G*GP*CP*UP*UP*U)-3'), RNA-dependent RNA polymerase
著者Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
登録日2007-09-10
公開日2008-07-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
2BPM
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STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
分子名称: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C.
登録日2005-04-21
公開日2005-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
2R7U
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Crystal Structure of Rotavirus SA11 VP1/RNA (AAAAGCC) Complex
分子名称: RNA (5'-R(*AP*A*AP*AP*GP*CP*C)-3'), RNA-dependent RNA polymerase
著者Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
登録日2007-09-10
公開日2008-07-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
2R7X
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Crystal Structure of Rotavirus SA11 VP1/RNA (UGUGACC)/GTP complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, RNA (5'-R(*UP*GP*UP*GP*AP*CP*C)-3'), RNA-dependent RNA polymerase
著者Lu, X, Harrison, S.C, Tao, Y.J, Patton, J.T, Nibert, M.L.
登録日2007-09-10
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanism for coordinated RNA packaging and genome replication by rotavirus polymerase VP1.
Structure, 16, 2008
8OI8
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Cryo-EM structure of ADP-bound, filamentous beta-actin harboring the R183W mutation
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S.
登録日2023-03-22
公開日2023-08-16
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
6WAD
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Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
分子名称: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
4GAE
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Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
著者Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
登録日2012-07-25
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
2D0C
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Crystal structure of Bst-RNase HIII in complex with Mn2+
分子名称: MANGANESE (II) ION, ribonuclease HIII
著者Chon, H, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
登録日2005-07-31
公開日2006-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure and structure-based mutational analyses of RNase HIII from Bacillus stearothermophilus: a new type 2 RNase H with TBP-like substrate-binding domain at the N terminus
J.Mol.Biol., 356, 2006
6VZG
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Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ...
著者Leschziner, A.E, Baker, R.W.
登録日2020-02-28
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021
4FTS
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BU of 4fts by Molmil
Crystal structure of the N363T mutant of the Flock House virus capsid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
登録日2012-06-28
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
6DCU
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Crystal structure of PPAR gamma co-crystallized with nTZDpa
分子名称: 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
著者Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R.
登録日2018-05-08
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of PPAR gamma in complex with NMP422
To Be Published
7T3A
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GATOR1-RAG-RAGULATOR - Inhibitory Complex
分子名称: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
4G4Y
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Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii
分子名称: ALANINE, Outer membrane protein Omp38, SULFATE ION
著者Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
登録日2012-07-16
公開日2013-07-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
7T3B
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GATOR1-RAG-RAGULATOR - GAP Complex
分子名称: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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GATOR1-RAG-RAGULATOR - Dual Complex
分子名称: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
著者Egri, S.B, Shen, K.
登録日2021-12-07
公開日2022-04-06
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
1CB0
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STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE AT 1.7 A RESOLUTION
分子名称: ADENINE, PROTEIN (5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE)
著者Appleby, T.C, Erion, M.D, Ealick, S.E.
登録日1999-02-26
公開日1999-07-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis.
Structure Fold.Des., 7, 1999
2D0B
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Crystal structure of Bst-RNase HIII in complex with Mg2+
分子名称: MAGNESIUM ION, ribonuclease HIII
著者Chon, H, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
登録日2005-07-31
公開日2006-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and structure-based mutational analyses of RNase HIII from Bacillus stearothermophilus: a new type 2 RNase H with TBP-like substrate-binding domain at the N terminus
J.Mol.Biol., 356, 2006
1EFW
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Crystal structure of aspartyl-tRNA synthetase from Thermus thermophilus complexed to tRNAasp from Escherichia coli
分子名称: ASPARTYL-TRNA, ASPARTYL-TRNA SYNTHETASE
著者Briand, C, Poterszman, A, Eiler, S, Webster, G, Thierry, J.-C, Moras, D.
登録日2000-02-10
公開日2000-06-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献An intermediate step in the recognition of tRNA(Asp) by aspartyl-tRNA synthetase.
J.Mol.Biol., 299, 2000
4GMP
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Crystal structure of enterovirus 71 strain 1095 procapsid
分子名称: capsid protein VP0, capsid protein VP1, capsid protein VP3
著者Yoder, J.D, Hafenstein, S.
登録日2012-08-16
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structures of the procapsid and mature virion of enterovirus 71 strain 1095.
J.Virol., 87, 2013
1ECJ
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ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH 2 AMP PER TETRAMER
分子名称: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
著者Muchmore, C.R, Krahn, J.M, Smith, J.L.
登録日1997-07-16
公開日1998-04-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli.
Protein Sci., 7, 1998
4FV6
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Crystal Structure of the ERK2 complexed with E57
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
6VZO
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Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
分子名称: Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2020-02-28
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021

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