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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
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
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
7DWO
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BU of 7dwo by Molmil
Crystal structure of Vibrio fischeri DarR in complex with DNA reveals the transcriptional activation mechanism of LTTR family members
Descriptor: Predicted DNA-binding transcriptional regulator
Authors:Wang, W.W, Wu, H, He, J.H, Yu, F.
Deposit date:2021-01-17
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Crystal structure details of Vibrio fischeri DarR and mutant DarR-M202I from LTTR family reveals their activation mechanism.
Int.J.Biol.Macromol., 183, 2021
8HMF
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BU of 8hmf by Molmil
head module state 2 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 (4.6 Å)
Cite:Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
3UQP
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BU of 3uqp by Molmil
Crystal structure of Bace1 with its inhibitor
Descriptor: Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION
Authors:Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
Deposit date:2011-11-21
Release date:2012-11-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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
7V3T
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BU of 7v3t by Molmil
Solution structure of thrombin binding aptamer G-quadruplex bound a self-adaptive small molecule with rotated ligands
Descriptor: 11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene, TBA G4 DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
Authors:Liu, W, Zhu, B.C, Mao, Z.W.
Deposit date:2021-08-11
Release date:2022-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a thrombin binding aptamer complex with a non-planar platinum(ii) compound.
Chem Sci, 13, 2022
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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BU of 7e9o by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9P
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BU of 7e9p by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(state2, local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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
4PPM
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BU of 4ppm by Molmil
Crystal structure of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Descriptor: Aminotransferase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Lou, X.D, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2014-02-27
Release date:2015-01-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Biochem.Biophys.Res.Commun., 447, 2014
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
Descriptor: Papain-like protease nsp3, ZINC ION, covalent inhibitor
Authors:Wang, Q, Hu, H, Li, M, Xu, Y.
Deposit date:2023-02-23
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-06-17
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (4.79 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
4FGX
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BU of 4fgx by Molmil
Crystal structure of bace1 with novel inhibitor
Descriptor: Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ...
Authors:Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C.
Deposit date:2012-06-05
Release date:2013-01-16
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4P1J
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BU of 4p1j by Molmil
Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, SAMARIUM (III) ION, ...
Authors:Bodenheimer, A.B, Cuneo, M.J, Swartz, P.D, Myles, D.A, Meilleur, F.
Deposit date:2014-02-26
Release date:2015-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structure of wild type Hypocrea jecorina Cel7a in a hexagonal crystal form
To Be Published
6KKI
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BU of 6kki by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded conformation
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021

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