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4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
分子名称: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
分子名称: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide
著者Yin, J, Wang, W.
登録日2013-12-20
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
7YPQ
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BU of 7ypq by Molmil
Cryo-EM structure of one baculovirus LEF-3 molecule in complex with ssDNA
分子名称: DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Lef3
著者Fu, Y, Rao, G, Yin, J, Li, Z, Cao, S.
登録日2022-08-04
公開日2023-01-25
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural transitions during the cooperative assembly of baculovirus single-stranded DNA-binding protein on ssDNA.
Nucleic Acids Res., 50, 2022
4RJ3
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BU of 4rj3 by Molmil
CDK2 with EGFR inhibitor compound 8
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, ACETATE ION, Cyclin-dependent kinase 2
著者Eigenbrot, C, Yin, J.
登録日2014-10-08
公開日2014-11-26
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
1XU2
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BU of 1xu2 by Molmil
The crystal structure of APRIL bound to BCMA
分子名称: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 17
著者Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
登録日2004-10-25
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
6V9S
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BU of 6v9s by Molmil
Structure-based development of subtype-selective orexin 1 receptor antagonists
分子名称: CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ...
著者Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P.
登録日2019-12-16
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
1XUT
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BU of 1xut by Molmil
Solution structure of TACI-CRD2
分子名称: Tumor necrosis factor receptor superfamily member 13B
著者Hymowitz, S.G, Patel, D.R, Wallweber, H.J, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
登録日2004-10-26
公開日2004-11-09
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structures of APRIL-receptor complexes: like BCMA, TACI employs only a single cysteine-rich domain for high affinity ligand binding.
J.Biol.Chem., 280, 2005
1XU1
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BU of 1xu1 by Molmil
The crystal structure of APRIL bound to TACI
分子名称: NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 13B
著者Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A.
登録日2004-10-25
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding
J.Biol.Chem., 280, 2005
3C0F
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BU of 3c0f by Molmil
Crystal Structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source
分子名称: Uncharacterized protein AF_1514
著者Li, Y, Bahti, P, Shaw, N, Song, G, Yin, J, Zhu, J.-Y, Zhang, H, Xu, H, Wang, B.-C, Liu, Z.-J.
登録日2008-01-20
公開日2008-02-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a novel non-Pfam protein AF1514 from Archeoglobus fulgidus DSM 4304 solved by S-SAD using a Cr X-ray source.
Proteins, 71, 2008
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
分子名称: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
分子名称: Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
分子名称: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
分子名称: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2015-07-07
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5HIE
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BU of 5hie by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
分子名称: Dabrafenib, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
1MPV
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BU of 1mpv by Molmil
Structure of bhpBR3, the BAFF-binding loop of BR3 embedded in a beta-hairpin peptide
分子名称: BLyS Receptor 3
著者Kayagaki, N, Yan, M, Seshasayee, D, Wang, H, Lee, W, French, D.M, Grewal, I.S, Cochran, A.G, Gordon, N.C, Yin, J, Starovasnik, M.A, Dixit, V.M.
登録日2002-09-12
公開日2002-10-30
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献BAFF/BLyS receptor 3 binds the B cell survival factor BAFF ligand through a discrete surface loop and promotes processing of NF-kappaB2.
Immunity, 17, 2002
5HI2
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BU of 5hi2 by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.512 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
5HID
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BU of 5hid by Molmil
BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf
著者Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
4H0N
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BU of 4h0n by Molmil
Crystal structure of Spodoptera frugiperda DNMT2 E260A/E261A/K263A mutant
分子名称: CALCIUM ION, DNMT2, S-ADENOSYL-L-HOMOCYSTEINE
著者Li, S, Du, J, Yang, H, Yin, J, Zhong, J, Ding, J.
登録日2012-09-09
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.712 Å)
主引用文献Functional and structural characterization of DNMT2 from Spodoptera frugiperda.
J Mol Cell Biol, 5, 2013
3FCT
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BU of 3fct by Molmil
MATURE METAL CHELATASE CATALYTIC ANTIBODY WITH HAPTEN
分子名称: CADMIUM ION, CALCIUM ION, MAGNESIUM ION, ...
著者Romesberg, F.E, Santarsiero, B.D, Barnes, D, Yin, J, Spiller, B, Schultz, P.G, Stevens, R.C.
登録日1999-06-13
公開日1999-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and kinetic evidence for strain in biological catalysis.
Biochemistry, 37, 1998
3TMP
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BU of 3tmp by Molmil
The catalytic domain of human deubiquitinase DUBA in complex with ubiquitin aldehyde
分子名称: OTU domain-containing protein 5, Polyubiquitin-C
著者Ma, X, Yin, J, Hymowitz, S, Starovasnik, M, Cochran, A.
登録日2011-08-31
公開日2012-01-11
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Phosphorylation-dependent activity of the deubiquitinase DUBA.
Nat.Struct.Mol.Biol., 19, 2012
5VO2
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DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017

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