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5HTL
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BU of 5htl by Molmil
Structure of MshE with cdg
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MSHA biogenesis protein MshE
Authors:Chin, K.H, Wang, Y.C.
Deposit date:2016-01-27
Release date:2016-10-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:Nucleotide binding by the widespread high-affinity cyclic di-GMP receptor MshEN domain.
Nat Commun, 7, 2016
4PNZ
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BU of 4pnz by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
Descriptor: (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Yan, Y.
Deposit date:2014-02-22
Release date:2014-04-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
8HI4
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BU of 8hi4 by Molmil
Cryo-EM structure of the bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Xu, X, Xin, J.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HME
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BU of 8hme by Molmil
head module state 1 of Tetrahymena IFT-A
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transporter, WD40 repeat protein, ...
Authors:Ma, Y, Wu, J, Lei, M.
Deposit date:2022-12-03
Release date:2023-06-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
8HMC
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BU of 8hmc by Molmil
base module state 1 of Tetrahymena IFT-A
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 43 homolog, Tetratricopeptide repeat protein, ...
Authors:Ma, Y, Wu, J, Lei, M.
Deposit date:2022-12-03
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
8HMD
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BU of 8hmd by Molmil
base module state 2 of Tetrahymena IFT-A
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 43 homolog, Tetratricopeptide repeat protein, ...
Authors:Ma, Y, Wu, J, Lei, M.
Deposit date:2022-12-03
Release date:2023-06-14
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
6IIC
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BU of 6iic by Molmil
CryoEM structure of Mud Crab Dicistrovirus
Descriptor: VP1 of Mud crab dicistrovirus, VP2 of Mud crab dicistrovirus, VP3 of Mud crab dicistrovirus, ...
Authors:Zhang, Q, Gao, Y.
Deposit date:2018-10-04
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
Descriptor: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Qiu, S, Wei, C.
Deposit date:2019-01-08
Release date:2019-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6IZL
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BU of 6izl by Molmil
Cryo-EM structure of Mud crab tombus-like virus at 3.3 Angstroms resolution
Descriptor: mud crab tombus-like virus
Authors:Zhang, Q, Gao, Y.
Deposit date:2018-12-19
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-electron Microscopy Structures of Novel Viruses from Mud CrabScylla paramamosainwith Multiple Infections.
J. Virol., 93, 2019
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
Descriptor: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-30
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6IDE
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BU of 6ide by Molmil
Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design
Descriptor: 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ...
Authors:Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
Deposit date:2018-09-09
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
8H66
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BU of 8h66 by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with propionyl-CoA
Descriptor: Histone acetyltransferase KAT2A, propionyl Coenzyme A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-15
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H6D
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BU of 8h6d by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with glutaryl-CoA
Descriptor: Histone acetyltransferase KAT2A, glutaryl-coenzyme A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H65
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BU of 8h65 by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with butyryl-CoA
Descriptor: Butyryl Coenzyme A, Histone acetyltransferase KAT2A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-15
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
8H6C
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BU of 8h6c by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain bound with malonyl-CoA
Descriptor: Histone acetyltransferase KAT2A, MALONYL-COENZYME A
Authors:Li, N, Tao, Y.J, Guo, Y.R.
Deposit date:2022-10-16
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis of KAT2A Selecting Acyl-CoA Cofactors for Histone Modifications.
Res, 6, 2023
5YC0
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BU of 5yc0 by Molmil
Crystal structure of LP-46/N44
Descriptor: Envelope glycoprotein, LP-46
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-05
Release date:2018-02-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
5Y14
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BU of 5y14 by Molmil
Crystal structure of LP-40/N44
Descriptor: LP-40, N44
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-07-19
Release date:2017-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
Descriptor: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
Authors:Hong, W, Chen, H, Wu, Q, Lin, T.
Deposit date:2019-09-23
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
8DEG
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BU of 8deg by Molmil
Crystal structure of DLK in complex with inhibitor DN0011197
Descriptor: Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Authors:Srivastava, A, Lexa, K, de Vicente, J.
Deposit date:2022-06-20
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
Descriptor: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
Authors:Gao, G.G, Shi, Y, Peng, R, Liu, S.
Deposit date:2016-10-01
Release date:2016-11-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5CZW
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BU of 5czw by Molmil
Crystal structure of myroilysin
Descriptor: Myroilysin, ZINC ION
Authors:Zhou, J, Ran, T, Xu, D, Wang, W.
Deposit date:2015-08-01
Release date:2016-08-03
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Myroilysin is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Activated by a Cysteine-switch Mechanism
J. Biol. Chem., 292, 2017

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數據於2024-10-16公開中

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