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1ARJ
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BU of 1arj by Molmil
ARG-BOUND TAR RNA, NMR
Descriptor: ARGININE, TAR RNA
Authors:Aboul-Ela, F, Varani, G, Karn, J.
Deposit date:1995-08-30
Release date:1996-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of the human immunodeficiency virus type-1 TAR RNA reveals principles of RNA recognition by Tat protein.
J.Mol.Biol., 253, 1995
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
5FQ1
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BU of 5fq1 by Molmil
Structure of the cytoplasmic PAS domain of the Geobacillus thermodenitrificans histidine kinase CitA
Descriptor: GLYCEROL, HISTIDINE KINASE, PHOSPHATE ION
Authors:Schomburg, B, Giller, K, Becker, S.
Deposit date:2015-12-03
Release date:2017-01-11
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Cryogenic optical localization provides 3D protein structure data with Angstrom resolution.
Nat. Methods, 14, 2017
1AQK
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BU of 1aqk by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
Descriptor: FAB B7-15A2
Authors:Faber, C, Fan, Z, Edmundson, A.B.
Deposit date:1997-07-30
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
4BKQ
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BU of 4bkq by Molmil
Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519
Authors:Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C.
Deposit date:2013-04-29
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
Descriptor: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
Authors:Concha, N.O, William, S.P, Wenzel, D.L.
Deposit date:2021-11-30
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
Authors:Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
Deposit date:2021-11-30
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
8CYE
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BU of 8cye by Molmil
Cryo-EM asymmetric reconstruction of the EPEC H6 bacterial flagellar filament Normal Waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-23
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
7QEN
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BU of 7qen by Molmil
S.c. Condensin core in DNA- and ATP-bound state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Condensin complex subunit 1, Condensin complex subunit 2, ...
Authors:Lecomte, L, Hassler, M, Haering, C, Eustermann, S.
Deposit date:2021-12-03
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
8CWM
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BU of 8cwm by Molmil
Cryo-EM structure of the supercoiled S. islandicus REY15A archaeal flagellar filament
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Liu, J, Krupovic, M, Egelman, E.H.
Deposit date:2022-05-19
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
7QFW
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BU of 7qfw by Molmil
S.c. Condensin peripheral Ycg1 subcomplex bound to DNA
Descriptor: Condensin complex subunit 2, Condensin complex subunit 3, Synthetic DNA ligand, ...
Authors:Lecomte, L, Hassler, M, Haering, C, Eustermann, S.
Deposit date:2021-12-06
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
8CXM
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BU of 8cxm by Molmil
Cryo-EM structure of the supercoiled E. coli K12 flagellar filament core, Normal waveform
Descriptor: Flagellin
Authors:Sonani, R.R, Kreutzberger, M.A.B, Sebastian, A.L, Scharf, B, Egelman, E.H.
Deposit date:2022-05-21
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
8CVI
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BU of 8cvi by Molmil
Cryo-EM structure of the supercoiled EPEC H6 flagellar filament core Curly I waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-18
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
6GKI
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BU of 6gki by Molmil
Structure of E coli MlaC in Variously Loaded States
Descriptor: BROMIDE ION, GLYCEROL, Probable phospholipid-binding protein MlaC
Authors:Knowles, T.J, Lovering, A.L.
Deposit date:2018-05-21
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol, 4, 2019
4COS
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BU of 4cos by Molmil
Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1
Descriptor: 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION
Authors:Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P.
Deposit date:2014-01-30
Release date:2014-03-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin.
Cell Rep, 17, 2016
5FMK
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BU of 5fmk by Molmil
Bcl-xL with Bak BH3 complex
Descriptor: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, BCL-XL, GLYCEROL
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.731 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FMI
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BU of 5fmi by Molmil
Human Bak Q77L
Descriptor: BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ZINC ION
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
5V3W
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BU of 5v3w by Molmil
Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13
Descriptor: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, Polyketide synthase Pks13 (Termination polyketide synthase)
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
8SDB
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BU of 8sdb by Molmil
Crystal Structure of E.Coli Branching Enzyme in complex with malto-octose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Bingham, C.R, Nayebi, H, Fawaz, R, Geiger, J.H.
Deposit date:2023-04-06
Release date:2023-07-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of Maltooctaose-Bound Escherichia coli Branching Enzyme Suggests a Mechanism for Donor Chain Specificity.
Molecules, 28, 2023
5V3X
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BU of 5v3x by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
7QB2
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BU of 7qb2 by Molmil
Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2021-11-18
Release date:2022-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7QEC
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BU of 7qec by Molmil
Crystal structure of SlpA - domain II, domain that is involved in the self-assembly of the S-layer from Lactobacillus amylovorus
Descriptor: S-layer
Authors:Eder, M, Dordic, A, Millan, C, Sagmeister, T, Uson, I, Pavkov-Keller, T.
Deposit date:2021-12-02
Release date:2022-12-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QEH
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BU of 7qeh by Molmil
LTA-binding domain of SlpA, the S-layer protein from Lactobacillus amylovorus
Descriptor: PHOSPHATE ION, S-layer
Authors:Eder, M, Dordic, A, Sagmeister, T, Pavkov-Keller, T.
Deposit date:2021-12-03
Release date:2022-12-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QFM
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BU of 7qfm by Molmil
Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023

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