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6OSN
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BU of 6osn by Molmil
Potent and Selective Antitumor Antibody Targeting a Membrane-Proximal Epitope of ROR2
Descriptor: ACETATE ION, Tyrosine-protein kinase transmembrane receptor ROR2
Authors:Park, H, Rader, C.
Deposit date:2019-05-01
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.083 Å)
Cite:Affinity maturation, humanization, and co-crystallization of a rabbit anti-human ROR2 monoclonal antibody for therapeutic applications.
J.Biol.Chem., 295, 2020
6OSH
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BU of 6osh by Molmil
Potent and Selective Antitumor Antibody Targeting a Membrane-Proximal Epitope of ROR2
Descriptor: Antibody Light chain variable region, Antibody heavy chain variable region, Tyrosine-protein kinase transmembrane receptor ROR2
Authors:Park, H, Rader, C.
Deposit date:2019-05-01
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.117 Å)
Cite:Affinity maturation, humanization, and co-crystallization of a rabbit anti-human ROR2 monoclonal antibody for therapeutic applications.
J.Biol.Chem., 295, 2020
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
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)
Descriptor: 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
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite: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
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 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
Authors:Park, H.
Deposit date:2015-02-11
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4Y46
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BU of 4y46 by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6OSV
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BU of 6osv by Molmil
Potent and Selective Antitumor Antibody Targeting a Membrane-Proximal Epitope of ROR2
Descriptor: Antibody heavy chain variable region, Antibody light chain variable region, Tyrosine-protein kinase transmembrane receptor ROR2
Authors:Park, H, Rader, C.
Deposit date:2019-05-02
Release date:2020-04-01
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Affinity maturation, humanization, and co-crystallization of a rabbit anti-human ROR2 monoclonal antibody for therapeutic applications.
J.Biol.Chem., 295, 2020
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
Descriptor: Antibody Fab heavy chain, GLYCEROL, antibody Fab Light chain
Authors:Park, H, Rader, C.
Deposit date:2019-09-04
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Site-Specific Lysine Arylation as an Alternative Bioconjugation Strategy for Chemically Programmed Antibodies and Antibody-Drug Conjugates.
Bioconjug.Chem., 30, 2019
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
7TUS
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BU of 7tus by Molmil
Sculpting a uniquely reactive cysteine residue for site-specific antibody conjugation
Descriptor: Antibody Heavy Chain, Antibody Light Chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, H, Rader, C.
Deposit date:2022-02-03
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sculpting a Uniquely Reactive Cysteine Residue for Site-Specific Antibody Conjugation.
Bioconjug.Chem., 33, 2022
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
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
7KSI
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BU of 7ksi 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)-5-methyl-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 (1.726 Å)
Cite:Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective 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
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
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
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
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2015-11-26
Release date:2016-10-05
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
2FOL
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BU of 2fol by Molmil
Crystal structure of human RAB1A in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-1A, ...
Authors:Wang, J, Tempel, W, Shen, Y, Shen, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-13
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:Crystal structure of human RAB1A in complex with GDP
To be Published
3C5C
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BU of 3c5c by Molmil
Crystal structure of human Ras-like, family 12 protein in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like protein 12, ...
Authors:Shen, L, Tong, Y, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human Ras-like, family 12 protein in complex with GDP.
To be Published
3BPJ
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BU of 3bpj by Molmil
Crystal structure of human translation initiation factor 3, subunit 1 alpha
Descriptor: Eukaryotic translation initiation factor 3 subunit J, UNKNOWN ATOM OR ION
Authors:Tempel, W, Nedyalkova, L, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-12-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human translation initiation factor 3, subunit 1 alpha.
To be Published
3CBQ
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BU of 3cbq by Molmil
Crystal structure of the human REM2 GTPase with bound GDP
Descriptor: 1,2-ETHANEDIOL, GTP-binding protein REM 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Nedyalkova, L, Shen, Y, 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:2008-02-22
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of the human REM2 GTPase with bound GDP.
To be Published
2FV7
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BU of 2fv7 by Molmil
Crystal structure of human ribokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human ribokinase
to be published
2GAO
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BU of 2gao by Molmil
Crystal Structure of Human SAR1a in Complex With GDP
Descriptor: GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Wang, J, Dimov, S, Tempel, W, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-03-09
Release date:2006-03-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human SAR1a in Complex With GDP
To be Published
2GF9
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BU of 2gf9 by Molmil
Crystal structure of human RAB3D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-3D, ...
Authors:Hong, B, Wang, J, 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:2006-03-21
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human RAB3D in complex with GDP
To be Published

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