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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
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
6DZR
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BU of 6dzr by Molmil
Crystal structure of h38C2 K99R mutation
Descriptor: CITRATE ANION, SULFATE ION, h38c2 heavy chain, ...
Authors:Park, H, Rader, C.
Deposit date:2018-07-05
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Site-Selective Antibody Functionalization via Orthogonally Reactive Arginine and Lysine Residues.
Cell Chem Biol, 26, 2019
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
Descriptor: 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
Authors:Park, H.
Deposit date:2021-09-02
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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
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
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
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
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
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
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
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
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
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
4ZZ7
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BU of 4zz7 by Molmil
Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii
Descriptor: Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii.
J. Microbiol., 54, 2016
3CZH
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BU of 3czh by Molmil
Crystal structure of CYP2R1 in complex with vitamin D2
Descriptor: (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ...
Authors:Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
3LGE
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BU of 3lge by Molmil
Crystal structure of rabbit muscle aldolase-SNX9 LC4 complex
Descriptor: Fructose-bisphosphate aldolase A, Sorting nexin-9
Authors:Rangarajan, E.S, Park, H, Fortin, E, Sygusch, J, Izard, T.
Deposit date:2010-01-20
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of aldolase control of sorting nexin 9 function in endocytosis.
J.Biol.Chem., 285, 2010
3LLU
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BU of 3llu by Molmil
Crystal structure of the nucleotide-binding domain of Ras-related GTP-binding protein C
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related GTP-binding protein C, ...
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Zhong, N, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the nucleotide-binding domain of Ras-related GTP-binding protein C
to be published
6D0S
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BU of 6d0s by Molmil
RabGAP domain of human TBC1D22B
Descriptor: SULFATE ION, TBC1 domain family member 22B, UNKNOWN ATOM OR ION
Authors:Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-10
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RabGAP domain of human TBC1D22B
To be Published
3LXX
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BU of 3lxx by Molmil
Crystal structure of human GTPase IMAP family member 4
Descriptor: GTPase IMAP family member 4, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shen, Y, Nedyalkova, L, Tong, Y, Tempel, W, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-02-25
Release date:2010-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human GTPase IMAP family member 4
to be published
3MDB
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BU of 3mdb by Molmil
Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4
Descriptor: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, Arf-GAP with dual PH domain-containing protein 1, Kinesin-like protein KIF13B, ...
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:2010-03-30
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4
to be published
5IJ6
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BU of 5ij6 by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
Descriptor: CHLORIDE ION, LIPOIC ACID, Lipoate--protein ligase, ...
Authors:Hughes, S.J, Lyle, A.G, Song, J.H, Antoshchenko, T, Park, H.
Deposit date:2016-03-01
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
to be published

225399

数据于2024-09-25公开中

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