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2JUN
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BU of 2jun by Molmil
Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers
Descriptor: Midline-1, ZINC ION
Authors:Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A.
Deposit date:2007-08-31
Release date:2008-03-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
7EYR
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BU of 7eyr by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF apo
Descriptor: 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7EYW
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BU of 7eyw by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with terretonin C
Descriptor: 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE, ...
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7EYS
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BU of 7eys by Molmil
Complex structure of SptF with Fe, alpha-ketoglutarate, and andiconin D
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, ...
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7EYT
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BU of 7eyt by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with andilesin C and NOG
Descriptor: 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andilesin C, FE (II) ION, ...
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7EYU
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BU of 7eyu by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF-N65T mutant with andiconin D
Descriptor: 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, FE (II) ION, ...
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7DMB
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BU of 7dmb by Molmil
Crystal structure of trans-methyltransferase CalH complex with SAH
Descriptor: Putative methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2020-12-03
Release date:2021-02-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:One Polyketide Synthase, Two Distinct Products: Trans-Acting Enzyme-Controlled Product Divergence in Calbistrin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
5V56
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BU of 5v56 by Molmil
2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
Authors:Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
Deposit date:2017-03-13
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
5V57
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BU of 5v57 by Molmil
3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
Authors:Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
Deposit date:2017-03-13
Release date:2017-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
8WA2
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BU of 8wa2 by Molmil
cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N.
Deposit date:2023-09-06
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-guided discovery of protein and glycan components in native mastigonemes.
Cell, 187, 2024
7FCB
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BU of 7fcb by Molmil
SptF 9 residues truncated mutant
Descriptor: 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-07-14
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
7VTA
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BU of 7vta by Molmil
Talaromyces verruculosus talaropentaene synthase apo
Descriptor: TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7VTB
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BU of 7vtb by Molmil
Partially closed conformation of talaropentaene synthase cyclase domain
Descriptor: NICKEL (II) ION, TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
7WIJ
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BU of 7wij by Molmil
Cryo-EM structure of prenyltransferase domain of Macrophoma phaseolina macrophomene synthase
Descriptor: Geranylgeranyl diphosphate synthase
Authors:Mori, T, Adachi, N, Abe, I.
Deposit date:2022-01-03
Release date:2022-06-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
6IVX
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BU of 6ivx by Molmil
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
Descriptor: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Adachi, T.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
3HFA
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BU of 3hfa by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant
Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H.
Deposit date:2009-05-11
Release date:2009-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
3H6I
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BU of 3h6i by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor GL1
Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H, Lin, G.
Deposit date:2009-04-23
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
3H6F
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BU of 3h6f by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor HT1171
Descriptor: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H, Lin, G.
Deposit date:2009-04-23
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
3HF9
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BU of 3hf9 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant modified by inhibitor GL1
Descriptor: Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
Authors:Li, D, Li, H.
Deposit date:2009-05-11
Release date:2009-09-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
5AYG
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BU of 5ayg by Molmil
Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g
Descriptor: 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma
Authors:Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T.
Deposit date:2015-08-20
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
4YRB
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BU of 4yrb by Molmil
mouse TDH mutant R180K with NAD+ bound
Descriptor: L-threonine 3-dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:He, C, Li, F.
Deposit date:2015-03-14
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4YRA
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BU of 4yra by Molmil
mouse TDH in the apo form
Descriptor: L-threonine 3-dehydrogenase, mitochondrial
Authors:He, C, Li, F.
Deposit date:2015-03-14
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
4YR9
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BU of 4yr9 by Molmil
mouse TDH with NAD+ bound
Descriptor: GLYCEROL, L-threonine 3-dehydrogenase, mitochondrial, ...
Authors:He, C, Li, F.
Deposit date:2015-03-14
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights on mouse l-threonine dehydrogenase: A regulatory role of Arg180 in catalysis
J.Struct.Biol., 192, 2015
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020

 

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