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8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
分子名称: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
著者Park, H, Mersal, K.I.
登録日2022-09-30
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
4WHZ
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BU of 4whz by Molmil
Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives
分子名称: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10
著者Park, H, LoGrasso, P.
登録日2014-09-24
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives.
J.Med.Chem., 57, 2014
6DZR
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BU of 6dzr by Molmil
Crystal structure of h38C2 K99R mutation
分子名称: CITRATE ANION, SULFATE ION, h38c2 heavy chain, ...
著者Park, H, Rader, C.
登録日2018-07-05
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Site-Selective Antibody Functionalization via Orthogonally Reactive Arginine and Lysine Residues.
Cell Chem Biol, 26, 2019
6U85
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BU of 6u85 by Molmil
Site-specific lysine arylation as an alternative bioconjugation strategy for chemically programmed antibodies and antibody-drug conjugates
分子名称: Antibody Fab heavy chain, GLYCEROL, antibody Fab Light chain
著者Park, H, Rader, C.
登録日2019-09-04
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Site-Specific Lysine Arylation as an Alternative Bioconjugation Strategy for Chemically Programmed Antibodies and Antibody-Drug Conjugates.
Bioconjug.Chem., 30, 2019
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
分子名称: 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2021-09-02
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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BU of 7ksj by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
分子名称: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
著者Park, H.
登録日2015-02-11
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6BA5
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BU of 6ba5 by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
分子名称: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain Heavy chain, antibody R11, ...
著者Park, H, Rader, C.
登録日2017-10-12
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BAN
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BU of 6ban by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
分子名称: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
著者Park, H, Rader, C.
登録日2017-10-14
公開日2018-06-13
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4J50
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BU of 4j50 by Molmil
Crystal Structure of an Expanded RNA CAG Repeat
分子名称: PHOSPHATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者Park, H, Disney, M.D.
登録日2013-02-07
公開日2013-02-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A dynamic structural model of expanded RNA CAG repeats: a refined X-ray structure and computational investigations using molecular dynamics and umbrella sampling simulations.
J.Am.Chem.Soc., 135, 2013
4K27
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BU of 4k27 by Molmil
Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
分子名称: CHLORIDE ION, MAGNESIUM ION, Myotonic Dystrophy Type 2 RNA
著者Park, H, Lohman, J, Disney, M.D.
登録日2013-04-08
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
ACS CHEM.BIOL., 2013
6AVK
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BU of 6avk by Molmil
Streptavidin bound to peptide-like compound KPM-6
分子名称: 1-hydroxydodecan-4-one, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[(2H-1,3-benzodioxol-5-yl)methyl][2-(chloromethyl)-1,3-oxazole-4-carbonyl]amino}methyl)-N-[(4-carbamoyl-1,3-oxazol-2-yl)methyl]-1,3-oxazole-4-carboxamide, Streptavidin
著者Park, H, Shamim, R, McEnaney, P, Kodadek, T.
登録日2017-09-02
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Efficient Workflow for Screening DNA-encoded One Bead One Compound Libraries Using a Flow Cytometer
To be Published
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, LoGrasso, P.V, Laughlin, J.D.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
分子名称: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
著者Park, H, Laughlin, J.D, LoGrasso, P.V.
登録日2011-12-20
公開日2012-02-01
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
4RHF
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BU of 4rhf by Molmil
Crystal structure of UbiX mutant V47S from Colwellia psychrerythraea 34H
分子名称: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, SULFATE ION
著者Do, H, Kim, S.J, Lee, C.W, Kim, H.-W, Park, H.H, Kim, H.M, Park, H, Park, H.J, Lee, J.H.
登録日2014-10-02
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystal structure of UbiX, an aromatic acid decarboxylase from the psychrophilic bacterium Colwellia psychrerythraea that undergoes FMN-induced conformational changes.
Sci Rep, 5, 2015
4RHE
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BU of 4rhe by Molmil
Crystal structure of UbiX, an aromatic acid decarboxylase from the Colwellia psychrerythraea 34H
分子名称: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, FLAVIN MONONUCLEOTIDE, SULFATE ION
著者Do, H, Kim, S.J, Lee, C.W, Kim, H.-W, Park, H.H, Kim, H.M, Park, H, Park, H.J, Lee, J.H.
登録日2014-10-02
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Crystal structure of UbiX, an aromatic acid decarboxylase from the psychrophilic bacterium Colwellia psychrerythraea that undergoes FMN-induced conformational changes.
Sci Rep, 5, 2015
3SZX
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Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
分子名称: RNA (5'-R(P*UP*UP*GP*GP*GP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*CP*C)-3')
著者Kumar, A, Park, H, Pengfei, F, Parkesh, R, Guo, M, Nettles, K.W, Disney, M.D.
登録日2011-07-19
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
Biochemistry, 50, 2011
3SYW
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Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
分子名称: PHOSPHATE ION, RNA (5'-R(*UP*UP*GP*GP*GP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*CP*C)-3')
著者Kumar, A, Park, H, Pengfei, F, Parkesh, R, Guo, M, Nettles, K.W, Disney, M.D.
登録日2011-07-18
公開日2012-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of the Triplet Repeat in Myotonic Dystrophy Reveals Heterogeneous 1x1 Nucleotide UU Internal Loop Conformations
Biochemistry, 50, 2011
3G2G
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S437Y Mutant of human muscle pyruvate kinase, isoform M2
分子名称: Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION
著者Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC)
登録日2009-01-31
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
3GFT
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BU of 3gft by Molmil
Human K-Ras (Q61H) in complex with a GTP analogue
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Human K-Ras in complex with a GTP analogue
To be Published
3GBJ
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BU of 3gbj by Molmil
Crystal structure of the motor domain of kinesin KIF13B bound with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, KIF13B protein, MAGNESIUM ION, ...
著者Tong, Y, Shen, L, Shen, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-02-19
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Crystal structure of the motor domain of kinesin KIF13B bound with ADP
To be Published
6NJE
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BU of 6nje by Molmil
Crystal structure of the motor domain of human kinesin family member 22
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF22, ...
著者Walker, B.C, Zhu, H, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Park, H, Cochran, J.C, Structural Genomics Consortium (SGC)
登録日2019-01-03
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the motor domain of human kinesin family member 22
To Be Published
3TLX
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BU of 3tlx by Molmil
Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Wernimont, A.K, Loppnau, P, Crombet, L, Weadge, J, Perieteanu, A, Edwards, A.M, Arrowsmith, C.H, Park, H, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2011-08-30
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
TO BE PUBLISHED

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