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6QEB
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BU of 6qeb by Molmil
Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Vasa, S.K.
Deposit date:2019-01-07
Release date:2019-02-06
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew.Chem.Int.Ed.Engl., 58, 2019
8WZI
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BU of 8wzi by Molmil
One RBD up state of Spike glycoprotein, SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yadav, S, Vinothkumar, K.R.
Deposit date:2023-11-01
Release date:2024-07-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Factors affecting macromolecule orientations in thin films formed in cryo-EM.
Acta Crystallogr D Struct Biol, 80, 2024
8WZJ
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BU of 8wzj by Molmil
Human erythrocyte catalase
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yadav, S, Vinothkumar, K.R.
Deposit date:2023-11-01
Release date:2024-07-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Factors affecting macromolecule orientations in thin films formed in cryo-EM.
Acta Crystallogr D Struct Biol, 80, 2024
8WV4
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BU of 8wv4 by Molmil
C-reactive protein, pentamer
Descriptor: C-reactive protein(1-205), CALCIUM ION
Authors:Yadav, S, Vinothkumar, K.R.
Deposit date:2023-10-23
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Factors affecting macromolecule orientations in thin films formed in cryo-EM.
Acta Crystallogr D Struct Biol, 80, 2024
8WV6
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BU of 8wv6 by Molmil
PaaZ, bifunctional enzyme
Descriptor: Bifunctional protein PaaZ
Authors:Yadav, S, Vinothkumar, K.R.
Deposit date:2023-10-23
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Factors affecting macromolecule orientations in thin films formed in cryo-EM.
Acta Crystallogr D Struct Biol, 80, 2024
8WV5
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BU of 8wv5 by Molmil
C-reactive protein, decamer
Descriptor: C-reactive protein(1-205), CALCIUM ION
Authors:Yadav, S, Vinothkumar, K.R.
Deposit date:2023-10-23
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Factors affecting macromolecule orientations in thin films formed in cryo-EM.
Acta Crystallogr D Struct Biol, 80, 2024
7NTA
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BU of 7nta by Molmil
Trimeric SARS-CoV-2 spike ectodomain in complex with biliverdin (one RBD erect)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Rosa, A, Pye, V.E, Nans, A, Cherepanov, P.
Deposit date:2021-03-09
Release date:2021-04-28
Last modified:2021-06-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:SARS-CoV-2 can recruit a heme metabolite to evade antibody immunity.
Sci Adv, 7, 2021
9BFN
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BU of 9bfn by Molmil
Cryo-EM co-structure of AcrB with the CU232 efflux pump inhibitor
Descriptor: (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB
Authors:Su, C.C.
Deposit date:2024-04-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
9BFM
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BU of 9bfm by Molmil
Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor
Descriptor: (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol, Multidrug efflux pump subunit AcrB
Authors:Su, C.C.
Deposit date:2024-04-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
9BFH
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BU of 9bfh by Molmil
Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor
Descriptor: (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB
Authors:Su, C.C.
Deposit date:2024-04-17
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
9BFT
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BU of 9bft by Molmil
Cryo-EM co-structure of AcrB with CU244
Descriptor: (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB
Authors:Su, C.C.
Deposit date:2024-04-18
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment.
mBio, 14, 2023
8D49
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BU of 8d49 by Molmil
Structure of Cas12a2 binary complex
Descriptor: OrfB_Zn_ribbon domain-containing protein, RNA (26-MER)
Authors:Bravo, J.P.K, Taylor, D.W.
Deposit date:2022-06-01
Release date:2023-01-18
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:RNA targeting unleashes indiscriminate nuclease activity of CRISPR-Cas12a2.
Nature, 613, 2023
6HN9
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BU of 6hn9 by Molmil
Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain
Descriptor: Nicomicin-1
Authors:Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V.
Deposit date:2018-09-14
Release date:2018-11-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain.
Mar Drugs, 16, 2018
1VM5
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BU of 1vm5 by Molmil
Solution structure of micelle-bound aurein 1.2, an antimicrobial and anticancer peptide from an Australian frog
Descriptor: peptide A5 or aurein 1.2
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM3
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BU of 1vm3 by Molmil
Solution structure of a membrane-targeting peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
Descriptor: peptide A3
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
7Y89
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BU of 7y89 by Molmil
Structure of the GPR17-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Ye, F, Chen, G.
Deposit date:2022-06-23
Release date:2022-10-12
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Cryo-EM structure of G-protein-coupled receptor GPR17 in complex with inhibitory G protein.
MedComm (2020), 3, 2022
1VM2
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BU of 1vm2 by Molmil
Solution structure of an anticancer peptide designed based on the N-terminal sequence of E. coli enzyme IIA (Glucose)
Descriptor: peptide A2
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1VM4
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BU of 1vm4 by Molmil
Solution structure of an antibacterial and antitumor peptide designed based on the N-terminal membrane anchor of E. coli enzyme IIA (Glucose)
Descriptor: peptide A4
Authors:Wang, G, Li, X.
Deposit date:2004-08-31
Release date:2004-12-07
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Correlation of Three-dimensional Structures with the Antibacterial Activity of a Group of Peptides Designed Based on a Nontoxic Bacterial Membrane Anchor.
J.Biol.Chem., 280, 2005
1W5J
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BU of 1w5j by Molmil
AN ANTI-PARALLEL FOUR HELIX BUNDLE
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-07
Release date:2004-09-24
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
1WAZ
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BU of 1waz by Molmil
NMR Structure Determination of the bacterial mercury transporter, MerF, in micelles
Descriptor: MERF
Authors:Howell, S.C, Mesleh, M.F, Opella, S.J.
Deposit date:2004-10-28
Release date:2005-04-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure Determination of a Membrane Protein with Two Transmembrane Helices in Micelles: Merf of the Bacterial Mercury Detoxification System
Biochemistry, 44, 2005
6DLK
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BU of 6dlk by Molmil
Crystal structure of DNA polymerase III subunit beta from Rickettsia rickettsii
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-01
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of DNA polymerase III subunit beta from Rickettsia rickettsii
to be published
7ZF2
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BU of 7zf2 by Molmil
Protomeric substructure from an octameric assembly of M. tuberculosis RNA polymerase in complex with sigma-b initiation factor
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Trapani, S, Bron, P, Lai Kee Him, J, Brodolin, K, Morichaud, Z, Vishwakarma, R.
Deposit date:2022-03-31
Release date:2023-02-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization.
Nat Commun, 14, 2023
8AAG
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BU of 8aag by Molmil
H1-bound palindromic nucleosome, state 1
Descriptor: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
Authors:Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B.
Deposit date:2022-07-01
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
6ZXL
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BU of 6zxl by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
4E02
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BU of 4e02 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP
Descriptor: (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
Deposit date:2012-03-02
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1547 Å)
Cite:Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
To be Published

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數據於2024-10-09公開中

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