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PDB: 238 results
7KSK
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BU of 7ksk by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Descriptor: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2020-11-23
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1N4E
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BU of 1n4e by Molmil
Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Descriptor: 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3'
Authors:Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C.
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a DNA decamer containing a cis-syn thymine dimer.
Proc.Natl.Acad.Sci.USA, 99, 2002
4J50
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BU of 4j50 by Molmil
Crystal Structure of an Expanded RNA CAG Repeat
Descriptor: 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')
Authors:Park, H, Disney, M.D.
Deposit date:2013-02-07
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, Myotonic Dystrophy Type 2 RNA
Authors:Park, H, Lohman, J, Disney, M.D.
Deposit date:2013-04-08
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
ACS CHEM.BIOL., 2013
5BTM
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BU of 5btm by Molmil
Crystal structure of AUUCU repeating RNA that causes spinocerebellar ataxia type 10 (SCA10)
Descriptor: MAGNESIUM ION, RNA (55-mer), SODIUM ION
Authors:Park, H.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.778 Å)
Cite:Crystallographic and Computational Analyses of AUUCU Repeating RNA That Causes Spinocerebellar Ataxia Type 10 (SCA10).
Biochemistry, 54, 2015
3O3U
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BU of 3o3u by Molmil
Crystal Structure of Human Receptor for Advanced Glycation Endproducts (RAGE)
Descriptor: Maltose-binding periplasmic protein, Advanced glycosylation end product-specific receptor, SULFATE ION, ...
Authors:Park, H, Boyington, J.C.
Deposit date:2010-07-26
Release date:2010-10-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:The 1.5 A crystal structure of human receptor for advanced glycation endproducts (RAGE) ectodomains reveals unique features determining ligand binding.
J.Biol.Chem., 285, 2010
3RF3
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BU of 3rf3 by Molmil
Shigella IpaA-VBS3 in complex with human vinculin
Descriptor: CACODYLATE ION, Invasin ipaA, Vinculin
Authors:Park, H, Sharff, A, Izard, T.
Deposit date:2011-04-05
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Novel vinculin binding site of the IpaA invasin of Shigella.
J.Biol.Chem., 286, 2011
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
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain Heavy chain, antibody R11, ...
Authors:Park, H, Rader, C.
Deposit date:2017-10-12
Release date:2018-06-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
1SM5
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BU of 1sm5 by Molmil
Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Descriptor: 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*(BRU)P*TP*AP*AP*TP*(BRU)P*CP*G)-3'
Authors:Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C.
Deposit date:2004-03-08
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Proc.Natl.Acad.Sci.USA, 99, 2002
1T4I
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BU of 1t4i by Molmil
Crystal Structure of a DNA Decamer Containing a Thymine-dimer
Descriptor: 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3'
Authors:Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.S, Kang, C.
Deposit date:2004-04-29
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a DNA Decamer Containing a cis-syn Thymine-dimer
Proc.Natl.Acad.Sci.USA, 99, 2002
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3TJ6
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BU of 3tj6 by Molmil
human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-C; residues 812-835) from Rickettsia rickettsii
Descriptor: Antigenic heat-stable 120 kDa protein, Vinculin
Authors:Park, H, Lee, J.H, Gouin, E, Cossart, P, Izard, T.
Deposit date:2011-08-23
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:The rickettsia surface cell antigen 4 applies mimicry to bind to and activate vinculin.
J.Biol.Chem., 286, 2011
3TJ5
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BU of 3tj5 by Molmil
human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-N; residues 412-434) from Rickettsia rickettsii
Descriptor: Antigenic heat-stable 120 kDa protein, GLYCEROL, Vinculin
Authors:Park, H, Lee, J.H, Gouin, E, Cossart, P, Izard, T.
Deposit date:2011-08-23
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The rickettsia surface cell antigen 4 applies mimicry to bind to and activate vinculin.
J.Biol.Chem., 286, 2011
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
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
Authors:Park, H, Rader, C.
Deposit date:2017-10-14
Release date:2018-06-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
6AVK
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BU of 6avk by Molmil
Streptavidin bound to peptide-like compound KPM-6
Descriptor: 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
Authors:Park, H, Shamim, R, McEnaney, P, Kodadek, T.
Deposit date:2017-09-02
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Efficient Workflow for Screening DNA-encoded One Bead One Compound Libraries Using a Flow Cytometer
To be Published
6J10
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BU of 6j10 by Molmil
Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly
Descriptor: 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein
Authors:Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
4RHF
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BU of 4rhf by Molmil
Crystal structure of UbiX mutant V47S from Colwellia psychrerythraea 34H
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, SULFATE ION
Authors: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.
Deposit date:2014-10-02
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.764 Å)
Cite: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
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, FLAVIN MONONUCLEOTIDE, SULFATE ION
Authors: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.
Deposit date:2014-10-02
Release date:2015-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Crystal structure of UbiX, an aromatic acid decarboxylase from the psychrophilic bacterium Colwellia psychrerythraea that undergoes FMN-induced conformational changes.
Sci Rep, 5, 2015
2IL1
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BU of 2il1 by Molmil
Crystal structure of a predicted human GTPase in complex with GDP
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Wang, J, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-10-02
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a predicted human GTPase in complex with GDP
To be Published
2IQJ
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BU of 2iqj by Molmil
Crystal structure of the GAP domain of SMAP1L (LOC64744) stromal membrane-associated protein 1-like
Descriptor: BETA-MERCAPTOETHANOL, Stromal membrane-associated protein 1-like, UNKNOWN ATOM OR ION, ...
Authors:Tong, Y, Dimov, S, Shen, L, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-10-13
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the GAP domain of SMAP1L (LOC64744) stromal membrane-associated protein 1-like
To be Published
2IG7
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BU of 2ig7 by Molmil
Crystal structure of Human Choline Kinase B
Descriptor: Choline/ethanolamine kinase, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-09-22
Release date:2006-10-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Human Choline Kinase B
To be Published
3FEH
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BU of 3feh by Molmil
Crystal structure of full length centaurin alpha-1
Descriptor: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
Authors:Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-29
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3F2R
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BU of 3f2r by Molmil
Crystal structure of human choline kinase alpha in complex with hemicholinium-3
Descriptor: (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), Choline kinase alpha, UNKNOWN ATOM OR ION
Authors:Hong, B, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-10-30
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of human choline kinase alpha in complex with hemicholinium-3
To be Published

221716

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