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8DY6
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BU of 8dy6 by Molmil
Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-08-03
Release date:2023-04-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
6M6C
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BU of 6m6c by Molmil
CryoEM structure of Thermus thermophilus RNA polymerase elongation complex
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shi, J, Wen, A, Feng, Y.
Deposit date:2020-03-14
Release date:2020-10-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
7M7F
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BU of 7m7f by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
6UG1
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BU of 6ug1 by Molmil
Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Paul, D, Min, J.-H.
Deposit date:2019-09-25
Release date:2021-03-31
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:Impact of DNA sequences on DNA 'opening' by the Rad4/XPC nucleotide excision repair complex.
DNA Repair (Amst), 107, 2021
6PIV
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BU of 6piv by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-7 (NR03-77)
Descriptor: (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
8E0O
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BU of 8e0o by Molmil
Heterotrimeric variant of tcTRP9, hetBGL03-15-18
Descriptor: hetBGL03-15-18a, hetBGL03-15-18b, hetBGL03-15-18c
Authors:Kibler, R, Stoddard, B.L, Kennedy, M.A.
Deposit date:2022-08-09
Release date:2023-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heterotrimeric variant of tcTRP9, hetBGL03-15-18
To Be Published
7M7H
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BU of 7m7h by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1'
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
5PY4
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BU of 5py4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 64)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
6ZMQ
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BU of 6zmq by Molmil
Cytochrome c Heme Lyase CcmF
Descriptor: Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Brausemann, A, Einsle, O.
Deposit date:2020-07-03
Release date:2021-05-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Architecture of the membrane-bound cytochrome c heme lyase CcmF.
Nat.Chem.Biol., 17, 2021
6PJ0
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BU of 6pj0 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)
Descriptor: 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2019-06-27
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6UMA
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BU of 6uma by Molmil
Crystal structure of the TRIM7 B30.2 domain at 1.6 angstrom resolution
Descriptor: E3 ubiquitin-protein ligase TRIM7, GLYCEROL, MALONATE ION
Authors:Munoz Sosa, C.J, Carrizo, M.E.
Deposit date:2019-10-09
Release date:2021-04-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and mutational analysis of the human TRIM7 B30.2 domain provide insights into the molecular basis of its binding to glycogenin-1.
J.Biol.Chem., 296, 2021
8EBT
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BU of 8ebt by Molmil
XPA repositioning Core7 of TFIIH relative to XPC-DNA lesion (Cy5)
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
6M7X
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BU of 6m7x by Molmil
Structure of human CYP11B1 in complex with fadrozole
Descriptor: 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile, Cytochrome P450 11B1, mitochondrial, ...
Authors:Scott, E.E, Brixius-Anderko, S.
Deposit date:2018-08-21
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Structure of human cortisol-producing cytochrome P450 11B1 bound to the breast cancer drug fadrozole provides insights for drug design.
J. Biol. Chem., 294, 2019
6ZOC
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BU of 6zoc by Molmil
Erythromycin binding to the access pocket of AcrB-G616P L protomer and 3-formylrifamycin SV binding to the access pocket of AcrB-G616P T protomer
Descriptor: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, DARPIN, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
8DNH
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BU of 8dnh by Molmil
Cryo-EM structure of nonmuscle beta-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K.
Deposit date:2022-07-11
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural insights into actin isoforms.
Elife, 12, 2023
7ML5
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BU of 7ml5 by Molmil
Structure of the Starch Branching Enzyme I (BEI) complexed with maltododecaose from Oryza sativa L
Descriptor: Isoform 2 of 1,4-alpha-glucan-branching enzyme, chloroplastic/amyloplastic, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Nayebi Gavgani, H, Fawaz, R, Geiger, J.H.
Deposit date:2021-04-27
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A structural explanation for the mechanism and specificity of plant branching enzymes I and IIb.
J.Biol.Chem., 298, 2021
6P8D
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BU of 6p8d by Molmil
Vaccine-elicited murine FP-targeting antibody vFP6.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: Antibody VFP6.01 heavy chain, Antibody VFP6.01 light chain, HIV fusion peptide residue 512-519
Authors:Xu, K, Liu, K, Wang, Y, Kwong, P.D.
Deposit date:2019-06-07
Release date:2020-06-10
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
6UMB
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BU of 6umb by Molmil
Crystal structure of TRIM7 B30.2 domain at 1.8 angstrom resolution
Descriptor: BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase TRIM7, MALONATE ION
Authors:Munoz Sosa, C.J, Carrizo, M.E.
Deposit date:2019-10-09
Release date:2021-04-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and mutational analysis of the human TRIM7 B30.2 domain provide insights into the molecular basis of its binding to glycogenin-1.
J.Biol.Chem., 296, 2021
6M80
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BU of 6m80 by Molmil
Collagen peptide containing aza-proline and aza-glycine
Descriptor: 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION
Authors:Chenoweth, D.M, Kasznel, A.J, Porter, N.J.
Deposit date:2018-08-21
Release date:2019-07-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen.
Chem Sci, 10, 2019
5PYM
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BU of 5pym by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 82)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7M7G
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BU of 7m7g by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
5PZ0
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BU of 5pz0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 96)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
6UJ8
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BU of 6uj8 by Molmil
Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6M86
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BU of 6m86 by Molmil
Crystal Structure of Inward Rectifier Kir2.2 Force Open Mutant
Descriptor: ATP-sensitive inward rectifier potassium channel 12, POTASSIUM ION
Authors:Lee, S.-J, Ren, F, Yuan, P, Nichols, C.G.
Deposit date:2018-08-21
Release date:2019-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Potassium conduction through an eukarytoic inwardly rectifying potassium channel
To be published
6ZPN
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BU of 6zpn by Molmil
Crystal structure of Chaetomium thermophilum Raptor
Descriptor: WD_REPEATS_REGION domain-containing protein
Authors:Imseng, S, Boehm, R, Jakob, R.P, Hall, M.N, Hiller, S, Maier, T.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The dynamic mechanism of 4E-BP1 recognition and phosphorylation by mTORC1.
Mol.Cell, 81, 2021

226707

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