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6EHT
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BU of 6eht by Molmil
Modulation of PCNA sliding surface by p15PAF suggests a suppressive mechanism for cisplatin-induced DNA lesion bypass by pol eta holoenzyme
分子名称: DNA (5'-D(P*AP*TP*AP*CP*GP*AP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*TP*CP*GP*TP*AP*T)-3'), PCNA-associated factor, ...
著者De March, M, Barrera-Vilarmau, S, Mentegari, E, Merino, N, Bressan, E, Maga, G, Crehuet, R, Onesti, S, Blanco, F.J, De Biasio, A.
登録日2017-09-15
公開日2018-08-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
分子名称: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
著者Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
登録日2020-07-29
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
3W18
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BU of 3w18 by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
分子名称: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-09
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
8JDM
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BU of 8jdm by Molmil
Structure of the Human cytoplasmic Ribosome with human tRNA Tyr(GalQ34) and mRNA(UAU) (rotated state)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
登録日2023-05-14
公開日2023-12-06
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
6I0Z
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BU of 6i0z by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1
分子名称: Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6HT7
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BU of 6ht7 by Molmil
Crystal structure of the WT human mitochondrial chaperonin (ADP:BeF3)14 complex
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Jebara, F, Patra, M, Azem, A, Hirsch, J.
登録日2018-10-03
公開日2020-04-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of the WT human mitochondrial football Hsp60-Hsp10(ADPBeFx)14 complex
Nat Commun, 2020
3WPS
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BU of 3wps by Molmil
crystal structure of the GAP domain of MgcRacGAP(S387D)
分子名称: Rac GTPase-activating protein 1, SULFATE ION
著者Murayama, K, Kato-murayama, M, Shirouzu, M, Kitamura, T, Yokoyama, S.
登録日2014-01-15
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献crystal structure of the GAP domain of MgcRacGAP
To be Published
6HVO
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BU of 6hvo by Molmil
Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta
分子名称: DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION
著者Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A.
登録日2018-10-11
公開日2019-01-23
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA).
J.Biol.Chem., 294, 2019
6ERG
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BU of 6erg by Molmil
Complex of XLF and heterodimer Ku bound to DNA
分子名称: DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ...
著者Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2017-10-18
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining.
Nat. Struct. Mol. Biol., 25, 2018
6I0M
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BU of 6i0m by Molmil
Structure of human IMP dehydrogenase, isoform 2, bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, ...
著者Buey, R.M, Fernandez-Justel, D, Revuelta, J.L.
登録日2018-10-26
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.567 Å)
主引用文献A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
6ZF9
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BU of 6zf9 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
分子名称: 1,2-ETHANEDIOL, 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4
著者Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
登録日2020-06-16
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound SSR4
To Be Published
3W6R
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BU of 3w6r by Molmil
Crystal structure of the GAP domain of human MgcRacGAP
分子名称: Rac GTPase-activating protein 1
著者Matsuura, A, Lee, H.H.
登録日2013-02-21
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of GTPase-activating domain from human MgcRacGAP.
Biochem.Biophys.Res.Commun., 435, 2013
6I13
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BU of 6i13 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7
分子名称: 1,2-ETHANEDIOL, 2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide, ACETATE ION, ...
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I16
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BU of 6i16 by Molmil
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 15
分子名称: 6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide, ACETATE ION, Fascin
著者Schuettelkopf, A.W.
登録日2018-10-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
7CVP
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BU of 7cvp by Molmil
The Crystal Structure of human PHGDH from Biortus.
分子名称: D-3-phosphoglycerate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F, Lv, Z, Cheng, W, Lin, D, Miao, Q, Huang, Y.
登録日2020-08-26
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Crystal Structure of human PHGDH from Biortus.
To Be Published
7CSX
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BU of 7csx by Molmil
Crystal structure of the N-terminal tandem RRM domains of RBM45
分子名称: RNA-binding protein 45
著者Chen, X, Yang, Z, Wang, W, Wang, M.
登録日2020-08-17
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for RNA recognition by the N-terminal tandem RRM domains of human RBM45.
Nucleic Acids Res., 49, 2021
2IPX
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BU of 2ipx by Molmil
Human Fibrillarin
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CALCIUM ION, rRNA 2'-O-methyltransferase fibrillarin
著者Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-10-12
公開日2006-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of Human Fibrillarin in complex with SAH
To be Published
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
分子名称: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
著者Faller, M.
登録日2020-06-11
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.976 Å)
主引用文献BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
2IU1
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BU of 2iu1 by Molmil
Crystal structure of eIF5 C-terminal domain
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 5
著者Bieniossek, C, Schuetz, P, Baumann, U.
登録日2006-05-26
公開日2006-06-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of the Carboxy-Terminal Domain of Human Translation Initiation Factor Eif5.
J.Mol.Biol., 360, 2006
6BB2
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BU of 6bb2 by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
分子名称: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
著者Ultsch, M, Eigenbrot, C.
登録日2017-10-16
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
8JF4
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BU of 8jf4 by Molmil
The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9
分子名称: 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A
著者Zhu, C.J.
登録日2023-05-17
公開日2024-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.89288354 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
6EOF
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BU of 6eof by Molmil
Crystal structure of AMPylated GRP78 in ADP state
分子名称: 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Yan, Y, Preissler, S, Read, R.J, Ron, D.
登録日2017-10-09
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
2J4Z
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BU of 2j4z by Molmil
Structure of Aurora-2 in complex with PHA-680626
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6
著者Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
登録日2006-09-08
公開日2006-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
6I42
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BU of 6i42 by Molmil
Structure of the alpha-Synuclein PreNAC/Cyclophilin A-complex
分子名称: Alpha-synuclein, Peptidyl-prolyl cis-trans isomerase A
著者Favretto, F, Zweckstetter, M, Becker, S.
登録日2018-11-08
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The Molecular Basis of the Interaction of Cyclophilin A with alpha-Synuclein.
Angew.Chem.Int.Ed.Engl., 59, 2020
6I2U
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BU of 6i2u by Molmil
Aurora-A kinase domain in complex with Coenzyme A
分子名称: Aurora kinase A, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Burgess, S.G, Bayliss, R.
登録日2018-11-02
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent Aurora A regulation by the metabolic integrator coenzyme A.
Redox Biol, 28, 2019

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