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6E3Z
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BU of 6e3z by Molmil
Structure of Bace-1 in complex with Ligand 8
Descriptor: Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
Authors:Shaffer, P.L.
Deposit date:2018-07-16
Release date:2019-09-11
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor
Acs Symp.Ser., 1307, 2020
6E0T
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BU of 6e0t by Molmil
C-terminal domain of Fission Yeast OFD1
Descriptor: Prolyl 3,4-dihydroxylase ofd1
Authors:Bianchet, M.A, Amzel, L.M, Espenshade, P.J, Yeh, T.
Deposit date:2018-07-06
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The hypoxic regulator of sterol synthesis nro1 is a nuclear import adaptor.
Structure, 19, 2011
6E12
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BU of 6e12 by Molmil
Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
Descriptor: Alr8543 protein, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Forouhar, F, Neely, H, Seetharaman, J, Xiao, R, Ciccosanti, C, Patel, D, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-07-09
Release date:2018-07-25
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
To Be Published
6E17
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BU of 6e17 by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound
Descriptor: Cytochrome P460, HEME C, NITRIC OXIDE
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-09
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6E0L
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BU of 6e0l by Molmil
Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase with Apcpp and Upnpp
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
Authors:Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-07-06
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
6E0R
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BU of 6e0r by Molmil
hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Descriptor: ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
Authors:Lane, W, Saikatendu, K.
Deposit date:2018-07-06
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6E0X
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BU of 6e0x by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212
Descriptor: Cytochrome P460, HEME C
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-07
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
7YR7
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BU of 7yr7 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with three RsmA protein dimers
Descriptor: RsmZ RNA (118-MER), Translational regulator CsrA
Authors:Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Liu, L, Ling, X, Yang, X, Wu, Y, Liu, T, Miao, Z, Wei, X, Bujnicki, J.M, Zhao, K, Su, Z.
Deposit date:2022-08-09
Release date:2023-05-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
6E4B
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BU of 6e4b by Molmil
The crystal structure of a putative alpha-ribazole-5'-P phosphatase from Escherichia coli str. K-12 substr. MG1655
Descriptor: Adenosylcobalamin/alpha-ribazole phosphatase, CHLORIDE ION, GLYCEROL, ...
Authors:Tan, K, Maltseva, N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-07-17
Release date:2018-09-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of a putative alpha-ribazole-5'-P phosphatase from Escherichia coli str. K-12 substr. MG1655 (CASP target)
To Be Published
6E1C
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BU of 6e1c by Molmil
Crystal structure of a MauG-like protein associated with microbial copper homeostasis
Descriptor: CALCIUM ION, Di-heme enzyme, HEME C
Authors:Dassama, L.M.K, Rosenzweig, A.C.
Deposit date:2018-07-09
Release date:2019-07-17
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.617 Å)
Cite:MbnH is a diheme MauG-like protein associated with microbial copper homeostasis.
J.Biol.Chem., 294, 2019
7YR6
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BU of 7yr6 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with two RsmA protein dimers
Descriptor: RsmZ RNA, Translational regulator CsrA
Authors:Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Ling, X, Yang, X, Wu, Y, Liu, T, Wei, X, Bujnick, J.M, Zhao, K, Su, Z.
Deposit date:2022-08-09
Release date:2023-05-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
7YWH
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BU of 7ywh by Molmil
Six DNA Helix Bundle nanopore - State 1
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7YWL
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BU of 7ywl by Molmil
Six DNA Helix Bundle nanopore - State 3
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
6E4L
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BU of 6e4l by Molmil
The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ...
Authors:Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E.
Deposit date:2018-07-17
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
7YWI
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BU of 7ywi by Molmil
Six DNA duplex bundle nanopore - State 2
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
7YWO
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BU of 7ywo by Molmil
Six DNA Helix Bundle nanopore - State 5
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Coveney, P, Howorka, S, Orlova, E.V.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
6LKG
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BU of 6lkg by Molmil
two-component system protein mediate signal transduction
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ABC transporter, solute-binding protein, ...
Authors:Wang, M, Tao, Y.
Deposit date:2019-12-19
Release date:2020-12-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Interface switch mediates signal transmission in a two-component system.
Proc.Natl.Acad.Sci.USA, 117, 2020
7YWN
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BU of 7ywn by Molmil
Six DNA Helix Bundle nanopore - State 4
Descriptor: DNA (50-MER)
Authors:Javed, A, Ahmad, K, Lanphere, C, Orlova, E.V, Coveney, P, Howorka, S.
Deposit date:2022-02-14
Release date:2023-05-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations.
Nat Commun, 14, 2023
6E51
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BU of 6e51 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51W mutant of human cellular retinol binding protein II
Descriptor: Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-18
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E52
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BU of 6e52 by Molmil
Chimeric structure of Saccharomyces cerevisiae GCN4 leucine zipper fused to Staphylococcus aureus AgrC cytoplasmic histidine kinase module (dataset anisotropically truncated by STARANISO)
Descriptor: Staphylococcus aureus AgrC histidine kinase module fused to Saccharomyces cerevisiae GCN4 leucine zipper
Authors:Xie, Q, Jeffrey, P.D, Muir, T.W.
Deposit date:2018-07-19
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identification of a Molecular Latch that Regulates Staphylococcal Virulence.
Cell Chem Biol, 26, 2019
7ZBS
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BU of 7zbs by Molmil
Solution NMR structure of the HTH_8cm consensus miniprotein in 30% TFE at 278K
Descriptor: HTH_8cm
Authors:Socha, O, Jakubec, D.
Deposit date:2022-03-24
Release date:2022-04-06
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Consensus design of structured miniproteins using spectral analysis of domain residue interaction networks
To Be Published
7YVW
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BU of 7yvw by Molmil
NMR determination of the 2:1 binding motif structure involving cytosine flipping out for the recognition of the CGG/CGG triad DNA
Descriptor: 3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl ~{N}-(7-methyl-1,8-naphthyridin-2-yl)carbamate, DNA (5'-D(*CP*AP*TP*TP*CP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*AP*CP*GP*GP*AP*AP*TP*G)-3')
Authors:Furuita, K, Yamada, T, Sakurabayashi, S, Nomura, M, Kojima, C, Nakatani, K.
Deposit date:2022-08-19
Release date:2023-06-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA.
Nucleic Acids Res., 50, 2022
7YMJ
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BU of 7ymj by Molmil
Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin
Descriptor: Nb6, Tamsulosin, alpha1A-adrenergic receptor
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-28
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023

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