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5BVD
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BU of 5bvd by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
分子名称: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Ma, X, Steven, S.
登録日2015-06-05
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
6ACV
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BU of 6acv by Molmil
the solution NMR structure of MBD domain
分子名称: Methyl-CpG-binding domain-containing protein 11
著者Li, S.L, Feng, Y.Y, Zhou, Y, Ding, Y.M, Liu, K, Nie, Y, Li, F, Yang, Y.Y.
登録日2018-07-27
公開日2019-07-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献the solution NMR structure of MBD domains
To Be Published
5OX5
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BU of 5ox5 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound
分子名称: (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ...
著者Chowdhury, R, Thinnes, C.C, Schofield, C.J.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
5OY4
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BU of 5oy4 by Molmil
GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
分子名称: Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ...
著者Bax, B.D, Convery, M.A.
登録日2017-09-07
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
登録日2016-06-11
公開日2016-09-14
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
2ZQB
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BU of 2zqb by Molmil
Crystal structure of a psychrotrophic RNaseHI variant with sextuple thermostabilizing mutations
分子名称: Ribonuclease HI, SULFATE ION
著者Angkawidjaja, C, Kanaya, S.
登録日2008-08-07
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Destabilization of psychrotrophic RNase HI in a localized fashion as revealed by mutational and X-ray crystallographic analyses
Febs J., 276, 2009
5BVE
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BU of 5bve by Molmil
Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase
分子名称: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Ma, X, Steven, S.
登録日2015-06-05
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
2IT9
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BU of 2it9 by Molmil
Crystal structure of a protein with unknown function from DUF155 family (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-10-19
公開日2006-11-28
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hypothetical protein (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 A resolution
To be published
2DN0
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BU of 2dn0 by Molmil
Solution structure of the second homeobox domain of human zinc fingers and homeoboxes protein 3
分子名称: Zinc fingers and homeoboxes protein 3
著者Seimiya, K, Kurosaki, C, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-04-24
公開日2006-10-24
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the second homeobox domain of human zinc fingers and homeoboxes protein 3
To be published
7W5O
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BU of 7w5o by Molmil
Crystal structure of ERK2 with an allosteric inhibitor
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Yoshida, M, Kinoshita, T.
登録日2021-11-30
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
2ZZ0
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BU of 2zz0 by Molmil
Crystal structure of human thioredoxin reductase I (SeCys 498 Cys)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase 1, ...
著者Lo, Y.C, Ko, T.P, Wang, A.H.J.
登録日2009-02-02
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
3RTR
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BU of 3rtr by Molmil
A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases
分子名称: Cullin-1, E3 ubiquitin-protein ligase RBX1, ZINC ION
著者Calabrese, M.F, Scott, D.C, Duda, D.M, Grace, C.R, Kurinov, I, Kriwacki, R.W, Schulman, B.A.
登録日2011-05-03
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases.
Nat.Struct.Mol.Biol., 18, 2011
4CZZ
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BU of 4czz by Molmil
Histone demethylase LSD1(KDM1A)-CoREST3 Complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 3
著者Barrios, A.P, Gomez, A.V, Saez, J.E, Ciossani, G, Toffolo, E, Battaglioli, E, Mattevi, A, Andres, M.E.
登録日2014-04-23
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Differential Properties of Transcriptional Complexes Formed by the Corest Family.
Mol.Cell.Biol., 34, 2014
2ZZB
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BU of 2zzb by Molmil
Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)
分子名称: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Lo, Y.C, Ko, T.P, Wang, A.H.J.
登録日2009-02-09
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
3AA4
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BU of 3aa4 by Molmil
A52V E.coli RNase HI
分子名称: Ribonuclease HI
著者Takano, K.
登録日2009-11-11
公開日2010-10-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Protein core adaptability: crystal structures of the cavity-filling variants of Escherichia coli RNase HI
Protein Pept.Lett., 17, 2010
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5PYR
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BU of 5pyr by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 87)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PZ7
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BU of 5pz7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 103)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PWI
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BU of 5pwi by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 5)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PWY
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BU of 5pwy by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 22)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PXD
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BU of 5pxd by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 37)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
2IKK
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BU of 2ikk by Molmil
Structural Genomics, the crystal structure of the C-terminal domain of Yurk from Bacillus subtilis subsp. subtilis str. 168
分子名称: Hypothetical transcriptional regulator yurK, SULFATE ION
著者Tan, K, Hatzos, C, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-02
公開日2006-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of the C-terminal domain of Yurk from Bacillus subtilis subsp. subtilis str. 168
To be Published
5PXT
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BU of 5pxt by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 53)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PY9
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BU of 5py9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 69)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PYP
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BU of 5pyp by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 85)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-08
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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