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6VEP
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BU of 6vep by Molmil
Human insulin in complex with the human insulin microreceptor in turn in complex with Fv 83-7
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:Lawrence, M.C, Menting, J.G.T.
Deposit date:2020-01-02
Release date:2020-06-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
7AEH
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BU of 7aeh by Molmil
SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1
Descriptor: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A.
Deposit date:2020-09-17
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
6M47
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BU of 6m47 by Molmil
X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in tramadol bound form
Descriptor: (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol, Antibody fragment 9D5 light chain, Antibody fragment Heavy chain, ...
Authors:Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A.
Deposit date:2020-03-05
Release date:2021-02-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.252 Å)
Cite:Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
8DUL
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BU of 8dul by Molmil
Cryo-EM Structure of Antibody SKT05 in complex with Western Equine Encephalitis Virus spike (local refinement from VLP particles)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab SKT05 heavy chain, ...
Authors:Cerutti, G, Verardi, R, Roederer, M, Shapiro, L.
Deposit date:2022-07-27
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
6UTB
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BU of 6utb by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core
Authors:Tolbert, W.D, Sherburn, R, Pazgier, M.
Deposit date:2019-10-29
Release date:2020-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site.
Mbio, 11, 2020
6PJW
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BU of 6pjw by Molmil
Adenylate kinase from Methanococcus igneus - AMP bound form
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylate kinase, MAGNESIUM ION
Authors:Moon, S, Kim, J, Olmos, J.L, Bae, E, Phillips Jr, G.N.
Deposit date:2019-06-28
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adenylate kinase from Methanococcus igneus - AMP bound form
To Be Published
7MOJ
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BU of 7moj by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with a metaphosphate intermediate
Descriptor: PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6ZZ8
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BU of 6zz8 by Molmil
MB_CRS6-15 bound to CrSAS-6_6HR
Descriptor: Centriole protein, Protein B
Authors:Hatzopoulos, G.N, Kukenshoner, T, Banterle, N, Favez, T, Fluckiger, I, Hantschel, O, Gonczy, P.
Deposit date:2020-08-04
Release date:2021-07-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Tuning SAS-6 architecture with monobodies impairs distinct steps of centriole assembly.
Nat Commun, 12, 2021
8E4H
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BU of 8e4h by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-08-18
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
6M14
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BU of 6m14 by Molmil
Crystal Structure of the BARD1 BRCT Mutant
Descriptor: BRCA1-associated RING domain protein 1, SULFATE ION
Authors:Chen, T, Huang, W.T.
Deposit date:2020-02-24
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88001835 Å)
Cite:BARD1 is an ATPase activating protein for OLA1.
Biochim Biophys Acta Gen Subj, 1866, 2022
7MEI
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BU of 7mei by Molmil
Composite structure of EC+EC
Descriptor: DNA (74-MER), DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Yang, C, Murakami, K.
Deposit date:2021-04-06
Release date:2022-03-02
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural visualization of de novo transcription initiation by Saccharomyces cerevisiae RNA polymerase II.
Mol.Cell, 82, 2022
6PLL
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BU of 6pll by Molmil
Crystal structure of the ZIG-8 IG1 homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Zwei Ig domain protein zig-8
Authors:Cheng, S, Ozkan, E.
Deposit date:2019-07-01
Release date:2020-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6UTF
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BU of 6utf by Molmil
Allosteric coupling between alpha-rings of the 20S proteasome, archaea 20S proteasome singly capped with a PAN complex
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Cheng, Y, Yu, Z.
Deposit date:2019-10-29
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
7MH6
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BU of 7mh6 by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 in low pH (protonated state)
Descriptor: Monobody L10, Multidrug transporter EmrE
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-04-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
6LZ6
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BU of 6lz6 by Molmil
Crystal structure of MERS-CoV N-NTD complexed with ligand P4-3
Descriptor: 5-(2-fluoranylethoxy)-1H-indole, Nucleoprotein
Authors:Hou, M.H, Lin, S.M, Hsu, J.N.
Deposit date:2020-02-18
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Targeting the N-Terminus Domain of the Coronavirus Nucleocapsid Protein Induces Abnormal Oligomerization via Allosteric Modulation.
Front Mol Biosci, 9, 2022
7ABV
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BU of 7abv by Molmil
Structure of the S1-cleaved mouse Notch1 Negative Regulatory Region (NRR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1
Authors:Zeronian, M.R, Janssen, B.J.C.
Deposit date:2020-09-08
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.065 Å)
Cite:Notch-Jagged signaling complex defined by an interaction mosaic.
Proc.Natl.Acad.Sci.USA, 118, 2021
8DW6
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BU of 8dw6 by Molmil
T4 bacteriophage primosome with single-strand DNA, State 3
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (70-MER), DNA primase, ...
Authors:Feng, X, Li, H.
Deposit date:2022-07-31
Release date:2023-06-14
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of the T4 bacteriophage primosome assembly and primer synthesis.
Nat Commun, 14, 2023
6UU3
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BU of 6uu3 by Molmil
E. coli sigma-S transcription initiation complex with a 4-nt RNA and a CTP ("Old" crystal soaked with GTP, ATP, CTP, and ddTTP for 30 minutes)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6PAN
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BU of 6pan by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VG0
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BU of 6vg0 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-07
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6LYN
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BU of 6lyn by Molmil
CD146 D4-D5/AA98 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AA98 Fab heavy chain, ...
Authors:Chen, X, Yan, X.
Deposit date:2020-02-14
Release date:2021-02-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Structure basis for AA98 inhibition on the activation of endothelial cells mediated by CD146.
Iscience, 24, 2021
8E7Q
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BU of 8e7q by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid
Descriptor: (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ...
Authors:Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
Deposit date:2022-08-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
6ZLX
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BU of 6zlx by Molmil
The structure of the ClpX-associated factor PDIP38
Descriptor: PLATINUM (II) ION, Polymerase delta-interacting protein 2
Authors:Zeth, K, Dougan, D.
Deposit date:2020-07-01
Release date:2021-07-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:PDIP38 is a novel adaptor-like modulator of the mitochondrial AAA+ protease CLPXP
To Be Published
7MOM
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BU of 7mom by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with a metaphosphate intermediate
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHITE ION, Tyrosine-protein phosphatase DSP1
Authors:Wang, H, Shears, S.B.
Deposit date:2021-05-01
Release date:2022-03-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MGX
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BU of 7mgx by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and methyl viologen
Descriptor: 1,1'-dimethyl-4,4'-bipyridin-1-ium, L10 Monobody, Multidrug transporter EmrE
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-04-13
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022

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