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4XPH
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BU of 4xph by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to 3,4dichlorophenethylamine
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain, ...
Authors:Penmatsa, A, Wang, K, Gouaux, E.
Deposit date:2015-01-17
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
7YWR
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BU of 7ywr by Molmil
NMR structure of the N-terminal domain of Nsp8 from SARS-CoV-2
Descriptor: ORF1a polyprotein
Authors:Mompean, M, Laurents, D.V, Pantoja-Uceda, D, Trevino, M.A.
Deposit date:2022-02-14
Release date:2022-03-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR structure of the N-terminal domain of Nsp8 from SARS-CoV-2
To Be Published
8THO
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BU of 8tho by Molmil
Solution structure of the zinc finger repeat domain of BCL11A (ZnF456)
Descriptor: B-cell lymphoma/leukemia 11A, ZINC ION
Authors:Viennet, T, Yin, M, Orkin, S.H, Arthanari, H.
Deposit date:2023-07-17
Release date:2024-07-24
Method:SOLUTION NMR
Cite:Structural and dynamic investigation of DNA-binding by BCL11A reveals a specific role for ZnF6
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
7L3V
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BU of 7l3v by Molmil
PEPCK MMQX structure 120ms post-mixing with oxaloacetic acid
Descriptor: CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E.
Deposit date:2020-12-18
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021
7YS5
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BU of 7ys5 by Molmil
RET G-quadruplex in 10mM Na+
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Yin, S, Cao, C.
Deposit date:2022-08-11
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:RET G-quadruplex in 10mM Na+
To Be Published
7YS7
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BU of 7ys7 by Molmil
RET oncogene primer G4-DNA in 100mMNa+
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Yin, S, Cao, C.
Deposit date:2022-08-11
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:RET oncogene primer G-quadruplex in Na+
To Be Published
4XPA
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BU of 4xpa by Molmil
X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine
Descriptor: 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain-protein, 9D5-heavy chain, ...
Authors:Aravind, P, Wang, K, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
8FGX
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BU of 8fgx by Molmil
Cryo-EM structure of the STAR-0215 Fab in complex with active human plasma kallikrein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein light chain, STAR-0215 Heavy chain, ...
Authors:Fuller, J.R, Biris, N, Bista, P.
Deposit date:2022-12-13
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:STAR-0215 is a Novel, Long-Acting Monoclonal Antibody Inhibitor of Plasma Kallikrein for the Potential Treatment of Hereditary Angioedema.
J.Pharmacol.Exp.Ther., 387, 2023
5EVZ
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BU of 5evz by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-20
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
8FN2
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BU of 8fn2 by Molmil
The structure of a 50S ribosomal subunit in the Lyme disease pathogen Borreliella burgdorferi
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Sharma, M.R, Manjari, S.R, Agrawal, E.K, Keshavan, P, Koripella, R.K, Majumdar, S, Marcinkiewicz, A.L, Lin, Y.P, Agrawal, R.K, Banavali, N.K.
Deposit date:2022-12-26
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of a hibernating ribosome in a Lyme disease pathogen.
Nat Commun, 14, 2023
7ZQX
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BU of 7zqx by Molmil
Human galectin-3c in complex with a galactose derivative
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, GLYCEROL, ...
Authors:Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T.
Deposit date:2022-05-03
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease.
J.Med.Chem., 65, 2022
8A6I
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BU of 8a6i by Molmil
Structure of the low complexity domain of TDP-43 (fragment 309-350) with methionine sulfoxide modifications
Descriptor: TAR DNA-binding protein 43
Authors:Carrasco, J, Anton, R, Pantoja-Uceda, D, Laurents, D.V, Oroz, J.
Deposit date:2022-06-17
Release date:2023-02-08
Method:SOLUTION NMR
Cite:Metamorphism in TDP-43 prion-like domain determines chaperone recognition.
Nat Commun, 14, 2023
8G3H
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BU of 8g3h by Molmil
Structure of cobalamin-dependent methionine synthase (MetH) in a resting state
Descriptor: COBALAMIN, Methionine synthase, ZINC ION
Authors:Watkins, M.B, Ando, N.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational switching and flexibility in cobalamin-dependent methionine synthase studied by small-angle X-ray scattering and cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 120, 2023
6FS5
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BU of 6fs5 by Molmil
NMR structure of Casocidin-I antimicrobial peptide in 60% TFE
Descriptor: Alpha-S2-casein
Authors:Mercurio, F.A, Leone, M.
Deposit date:2018-02-19
Release date:2018-10-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments.
Peptides, 114, 2019
8FVG
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BU of 8fvg by Molmil
Pseudomonas phage E217 contracted sheath
Descriptor: Sheath protein gp31
Authors:Li, F, Cingolani, G, Hou, C.
Deposit date:2023-01-18
Release date:2023-07-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:High-resolution cryo-EM structure of the Pseudomonas bacteriophage E217.
Nat Commun, 14, 2023
8ENU
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BU of 8enu by Molmil
Structure of the C3bB proconvertase in complex with lufaxin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
Authors:Andersen, J.F, Lei, H.
Deposit date:2022-09-30
Release date:2023-08-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-21
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
2IQY
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BU of 2iqy by Molmil
Rat Phosphatidylethanolamine-Binding Protein
Descriptor: CALCIUM ION, CHLORIDE ION, Phosphatidylethanolamine-binding protein 1
Authors:Kim, Y, Joachimiak, G, Heil, G.L, Koide, S, Joachimiak, A.
Deposit date:2006-10-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Rat Phosphatidylethanolamine-Binding Protein
To be Published
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G57
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BU of 8g57 by Molmil
Structure of nucleosome-bound Sirtuin 6 deacetylase
Descriptor: DNA strand 1, DNA strand 2, Histone H2A type 1-B/E, ...
Authors:Chio, U.S, Rechiche, O, Bryll, A.R, Zhu, J, Feldman, J.L, Peterson, C.L, Tan, S, Armache, J.-P.
Deposit date:2023-02-11
Release date:2023-04-26
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Cryo-EM structure of the human Sirtuin 6-nucleosome complex.
Sci Adv, 9, 2023
7ZZV
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BU of 7zzv by Molmil
Prostatic acid phosphatase (PAP) fragment (85-120)
Descriptor: Prostatic acid phosphatase
Authors:Blokhin, D.S, Yulmetov, A.R, Kusova, A.M, Skvortsova, P.V.
Deposit date:2022-05-26
Release date:2022-06-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of amyloidogenic PAP(85-120) peptide by high-resolution NMR spectroscopy
Journal of Molecular Structure, 1253, 2022
8G6I
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BU of 8g6i by Molmil
Coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VIII chimera from human and pig, NB33 heavy chain, ...
Authors:Childers, K.C, Davulcu, O, Haynes, R.M, Lollar, P, Doering, C.B, Coxon, C.H, Spiegel, P.C.
Deposit date:2023-02-15
Release date:2023-05-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structure of coagulation factor VIII bound to a patient-derived anti-C1 domain antibody inhibitor.
Blood, 142, 2023
2ZDX
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BU of 2zdx by Molmil
Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4
Descriptor: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Pyruvate dehydrogenase kinase isozyme 4
Authors:Kawamoto, M, Shiromizu, I, Kukimoto-niino, M, Tokmakov, A, Terada, T, Shirouzu, M, Matsusue, T, Yokoyama, S.
Deposit date:2007-11-30
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
6FS4
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BU of 6fs4 by Molmil
NMR structure of Casocidin-II antimicrobial peptide in 60% TFE
Descriptor: Alpha-S2-casein
Authors:Mercurio, F.A, Leone, M.
Deposit date:2018-02-19
Release date:2018-10-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments.
Peptides, 114, 2019

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