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2MSY
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BU of 2msy by Molmil
Solution structure of Hox homeodomain
Descriptor: Homeobox protein Hox-C9
Authors:Kim, H, Park, S, Han, J, Lee, B.
Deposit date:2014-08-11
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insight into the interaction between the Hox and HMGB1 and understanding of the HMGB1-enhancing effect of Hox-DNA binding.
Biochim.Biophys.Acta, 1854, 2015
3OUH
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BU of 3ouh by Molmil
PHD2-R127 with JNJ41536014
Descriptor: 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ...
Authors:Kim, H, Clark, R.
Deposit date:2010-09-14
Release date:2010-12-01
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
8HEJ
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BU of 8hej by Molmil
Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
Descriptor: 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin
Authors:Kim, H, Choi, S, Lee, C.
Deposit date:2022-11-08
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
To Be Published
5B4O
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BU of 5b4o by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
Descriptor: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ...
Authors:Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N.
Deposit date:2016-04-07
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
4UIP
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BU of 4uip by Molmil
The complex structure of extracellular domain of EGFR with Repebody (rAC1).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ...
Authors:Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S.
Deposit date:2015-03-31
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Enzymatic Prenylation and Oxime Ligation for the Synthesis of Stable and Homogeneous Protein-Drug Conjugates for Targeted Therapy.
Angew.Chem.Int.Ed.Engl., 54, 2015
7P80
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BU of 7p80 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compressed state)
Descriptor: ADEP2, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
Deposit date:2021-07-21
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
7P81
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BU of 7p81 by Molmil
Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state)
Descriptor: ADEP2, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K.
Deposit date:2021-07-21
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
8X9E
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BU of 8x9e by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in low PEG concentration
Descriptor: 1,2-ETHANEDIOL, Carbon monoxide dehydrogenase 2, FE (III) ION, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9D
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BU of 8x9d by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9H
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BU of 8x9h by Molmil
Crystal structure of CO dehydrogenase mutant (F41C)
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9G
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BU of 8x9g by Molmil
Crystal structure of CO dehydrogenase mutant in complex with BV
Descriptor: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium, Carbon monoxide dehydrogenase 2, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
8X9F
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BU of 8x9f by Molmil
Crystal structure of CO dehydrogenase mutant in complex with EV
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium, Carbon monoxide dehydrogenase 2, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
6PLN
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BU of 6pln by Molmil
X-ray crystal structure of Pyrococcus furiosus general transcription factor TFE-alpha
Descriptor: Transcription factor E
Authors:Murakami, K.S, Jun, S.H.
Deposit date:2019-07-01
Release date:2020-07-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Direct binding of TFE alpha opens DNA binding cleft of RNA polymerase.
Nat Commun, 11, 2020
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
8IVU
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BU of 8ivu by Molmil
Crystal Structure of Human NAMPT in complex with A4276
Descriptor: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Kang, B.G, Cha, S.S.
Deposit date:2023-03-28
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.09000921 Å)
Cite:Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
7T63
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BU of 7t63 by Molmil
Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia
Descriptor: DESATURASE, FE (II) ION
Authors:Liu, Q, Chai, J, Shanklin, J.
Deposit date:2021-12-13
Release date:2022-07-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent evolution of extreme production of variant plant monounsaturated fatty acids.
Proc.Natl.Acad.Sci.USA, 119, 2022
8J26
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BU of 8j26 by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ...
Authors:Rahman, M.S, Jang, S.K, Lee, J.O.
Deposit date:2023-04-14
Release date:2023-06-21
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
8J1Q
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BU of 8j1q by Molmil
CryoEM structure of SARS CoV-2 RBD and Aptamer complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ...
Authors:Rahman, M.S, Jang, S.K, Lee, J.O.
Deposit date:2023-04-13
Release date:2023-06-21
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
6RMH
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BU of 6rmh by Molmil
The Rigid-body refined model of the normal Huntingtin.
Descriptor: Huntingtin
Authors:Jung, T, Tamo, G, Dal Perraro, M, Hebert, H, Song, J.
Deposit date:2019-05-06
Release date:2020-06-03
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:The Polyglutamine Expansion at the N-Terminal of Huntingtin Protein Modulates the Dynamic Configuration and Phosphorylation of the C-Terminal HEAT Domain.
Structure, 28, 2020
6IJR
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BU of 6ijr by Molmil
Human PPARgamma ligand binding domain complexed with SB1495
Descriptor: 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y, Han, B.W.
Deposit date:2018-10-11
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
6IJS
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BU of 6ijs by Molmil
Human PPARgamma ligand binding domain complexed with SB1494
Descriptor: 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Jang, J.Y, Han, B.W.
Deposit date:2018-10-11
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation.
Sci Rep, 9, 2019
5X1E
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BU of 5x1e by Molmil
Structure of DotL(656-783)-IcmS-IcmW derived from Legionella pneumophila
Descriptor: IcmO (DotL), IcmS, IcmW
Authors:Kim, J.D, Kwak, M.J, Oh, B.H.
Deposit date:2017-01-25
Release date:2017-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Architecture of the type IV coupling protein complex of Legionella pneumophila
Nat Microbiol, 2, 2017
5G2A
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BU of 5g2a by Molmil
The crystal structure of light-driven chloride pump ClR at pH 6.0 with Bromide ion.
Descriptor: BROMIDE ION, CHLORIDE PUMPING RHODOPSIN, RETINAL
Authors:Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
Deposit date:2016-04-07
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5G54
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BU of 5g54 by Molmil
The crystal structure of light-driven chloride pump ClR at pH 4.5
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
Deposit date:2016-05-19
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016
5G28
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BU of 5g28 by Molmil
The crystal structure of light-driven chloride pump ClR at pH 6.0.
Descriptor: CHLORIDE ION, CHLORIDE PUMPING RHODOPSIN, OLEIC ACID, ...
Authors:Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S.
Deposit date:2016-04-07
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Nat.Commun., 7, 2016

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