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7Y6K
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BU of 7y6k by Molmil
Cryo-EM structure of SARS-CoV-2 receptor binding domain in complex with K202.B bispecific antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab region of heavy chain from K202.B, bispecific antibody, ...
Authors:Yoo, Y, Cho, H.S.
Deposit date:2022-06-20
Release date:2023-07-19
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Novel bispecific human antibody platform specifically targeting a fully open spike conformation potently neutralizes multiple SARS-CoV-2 variants.
Antiviral Res., 212, 2023
2N3P
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BU of 2n3p by Molmil
SOLUTION NMR STRUCTURE of ASTEROPSIN G from MARINE SPONGE ASTEROPUS
Descriptor: Asteropsin_G
Authors:Su, M, Jung, J.H.
Deposit date:2015-06-09
Release date:2016-06-08
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Stable and non-cytotoxic cystine knot peptides from a marine sponge asteropus
To be Published
2N2G
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BU of 2n2g by Molmil
SOLUTION NMR STRUCTURE of ASTEROPSIN F FROM MARINE SPONGE ASTEROPUS
Descriptor: Asteropsin_F
Authors:Su, M, Jung, J.H.
Deposit date:2015-05-07
Release date:2016-06-08
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Stable and non-cytotoxic cystine knot peptides from a marine sponge
To be Published
6IWD
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BU of 6iwd by Molmil
The PTP domain of human PTPN14 in a complex with the CR3 domain of HPV18 E7
Descriptor: CHLORIDE ION, HPV18 E7, PHOSPHATE ION, ...
Authors:Yun, H.-Y, Kim, S.J, Ku, B.
Deposit date:2018-12-05
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus.
Plos Biol., 17, 2019
5Y7X
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BU of 5y7x by Molmil
Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist
Descriptor: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ...
Authors:Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H.
Deposit date:2017-08-18
Release date:2018-08-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Highly potent and selective PPAR delta agonist reverses memory deficits in mouse models of Alzheimer's disease.
Theranostics, 14, 2024
9BHI
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BU of 9bhi by Molmil
Crystal structure of the MerTK kinase domain with SA4488
Descriptor: (5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide, CHLORIDE ION, Mer tyrosine kinase domain
Authors:Jakob, C.G, Qui, W, Jain, R.
Deposit date:2024-04-20
Release date:2024-10-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of A-910, a Highly Potent and Orally Bioavailable Dual MerTK/Axl-Selective Tyrosine Kinase Inhibitor.
J.Med.Chem., 67, 2024
5Z9H
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BU of 5z9h by Molmil
Crystal structure of KAI2_ply2(A219V)
Descriptor: Probable esterase KAI2
Authors:Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
Deposit date:2018-02-03
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
5Z9G
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BU of 5z9g by Molmil
Crystal structure of KAI2
Descriptor: Probable esterase KAI2
Authors:Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
Deposit date:2018-02-03
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
7VFN
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BU of 7vfn by Molmil
Crystal structure of SdgB (SD peptide-binding form)
Descriptor: ASP-SER-ASP, Glycosyl transferase, group 1 family protein
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-09-13
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
7VFL
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BU of 7vfl by Molmil
Crystal structure of SdgB (UDP, NAG, and O-glycosylated SD peptide-binding form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl transferase, group 1 family protein, ...
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-09-13
Release date:2021-11-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
7VFO
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BU of 7vfo by Molmil
Crystal structure of SdgB (Phosphate-binding form)
Descriptor: Glycosyl transferase, group 1 family protein, PHOSPHATE ION
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-09-13
Release date:2021-11-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
7VFK
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BU of 7vfk by Molmil
Crystal structure of SdgB (ligand-free form)
Descriptor: GLYCEROL, Glycosyl transferase, group 1 family protein, ...
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-09-13
Release date:2021-11-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
7VFM
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BU of 7vfm by Molmil
Crystal structure of SdgB (UDP and SD peptide-binding form)
Descriptor: Glycosyl transferase, group 1 family protein, SER-ASP-SER-ASP, ...
Authors:Kim, D.-G, Baek, I, Lee, Y, Kim, H.S.
Deposit date:2021-09-13
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis for SdgB- and SdgA-mediated glycosylation of staphylococcal adhesive proteins.
Acta Crystallogr D Struct Biol, 77, 2021
2G97
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BU of 2g97 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with the Specific Inhibitor FK-866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
7XW3
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BU of 7xw3 by Molmil
Cryo-EM structure of an apo-form of human DICER
Descriptor: Endoribonuclease Dicer
Authors:Lee, H, Roh, S.-H.
Deposit date:2022-05-26
Release date:2023-03-08
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Structure of the human DICER-pre-miRNA complex in a dicing state.
Nature, 615, 2023
7XW2
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BU of 7xw2 by Molmil
Cryo-EM structure of human DICER-pre-miRNA in a dicing state
Descriptor: CALCIUM ION, Endoribonuclease Dicer, RNA (73-MER)
Authors:Lee, H, Roh, S.-H.
Deposit date:2022-05-26
Release date:2023-03-08
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structure of the human DICER-pre-miRNA complex in a dicing state.
Nature, 615, 2023
2G96
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BU of 2g96 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with Niconamide Mononucleotide
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide phosphoribosyltransferase
Authors:Eom, S.H, Kim, M.-K.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
2G95
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BU of 2g95 by Molmil
Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase
Descriptor: Nicotinamide phosphoribosyltransferase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
6W30
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BU of 6w30 by Molmil
Protein Tyrosine Phosphatase 1B Bound to Amorphadiene
Descriptor: Amorphadiene, GLYCEROL, MAGNESIUM ION, ...
Authors:Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.
Deposit date:2020-03-08
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products.
Acs Synth Biol, 10, 2021
7CHT
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BU of 7cht by Molmil
Crystal structure of TTK kinase domain in complex with compound 30
Descriptor: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D.
Deposit date:2020-07-06
Release date:2021-05-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHM
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BU of 7chm by Molmil
Crystal structure of TTK kinase domain in complex with compound 8
Descriptor: 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
Deposit date:2020-07-06
Release date:2021-05-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CHN
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BU of 7chn by Molmil
Crystal structure of TTK kinase domain in complex with compound 9
Descriptor: 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
Deposit date:2020-07-06
Release date:2021-05-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CLH
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BU of 7clh by Molmil
Crystal structure of TTK kinase domain in complex with compound 19
Descriptor: 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
Deposit date:2020-07-21
Release date:2021-05-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CJA
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BU of 7cja by Molmil
Crystal structure of TTK kinase domain in complex with compound 28
Descriptor: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
Deposit date:2020-07-09
Release date:2021-05-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
7CIL
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BU of 7cil by Molmil
Crystal structure of TTK kinase domain in complex with compound 7
Descriptor: 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK
Authors:Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D.
Deposit date:2020-07-07
Release date:2021-05-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021

238582

数据于2025-07-09公开中

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