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8TQS
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BU of 8tqs by Molmil
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2023-08-08
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024
5JJB
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BU of 5jjb by Molmil
Crystal structure of Mycobacterium avium SerB2 mutant D343G
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Phosphoserine phosphatase
Authors:Shree, S, Dubey, S, Ramachandran, R.
Deposit date:2016-04-23
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Crystal Structure of Mycobacterium avium SerB2 (MAV_3907) at pH 6.6
To be published
8TW0
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BU of 8tw0 by Molmil
Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A
Descriptor: Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ...
Authors:Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D.
Deposit date:2023-08-18
Release date:2024-05-29
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Heterotrimeric collagen helix with high specificity of assembly results in a rapid rate of folding.
Nat.Chem., 2024
5LNK
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BU of 5lnk by Molmil
Entire ovine respiratory complex I
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 4'-PHOSPHOPANTETHEINE, ...
Authors:Fiedorczuk, K, Letts, J.A, Kaszuba, K, Sazanov, L.A.
Deposit date:2016-08-04
Release date:2016-11-23
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of the entire mammalian mitochondrial complex I.
Nature, 538, 2016
1RTT
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BU of 1rtt by Molmil
Crystal structure determination of a putative NADH-dependent reductase using sulfur anomalous signal
Descriptor: SULFATE ION, conserved hypothetical protein
Authors:Agarwal, R, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-12-10
Release date:2004-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structure determination of an FMN reductase from Pseudomonas aeruginosa PA01 using sulfur anomalous signal.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
5JTB
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BU of 5jtb by Molmil
Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V.
Deposit date:2016-05-09
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
1T2A
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BU of 1t2a by Molmil
Crystal structure of human GDP-D-mannose 4,6-dehydratase
Descriptor: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Wasney, G, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Oppermann, U.
Deposit date:2004-04-20
Release date:2004-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure and Biophysical Characterization of Human GDP-D-mannose 4,6-dehydratase
To be Published
1TCU
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BU of 1tcu by Molmil
Crystal Structure of the Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with phosphate and acetate
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Pereira, H.D, Franco, G.R, Cleasby, A, Garratt, R.C.
Deposit date:2004-05-21
Release date:2005-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
J.Mol.Biol., 353, 2005
1PS6
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BU of 1ps6 by Molmil
Crystal structure of E.coli PdxA
Descriptor: 4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
Authors:Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M.
Deposit date:2003-06-20
Release date:2003-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
1Q2N
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BU of 1q2n by Molmil
REFINED Solution NMR structure of the Z domain of STAPHYLOCOCCAL PROTEIN A
Descriptor: IMMUNOGLOBULIN G BINDING PROTEIN A
Authors:Zheng, D, Tashiro, M, Aramini, J.M, Montelione, G.T.
Deposit date:2003-07-25
Release date:2003-08-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Validation of helical tilt angles in the solution NMR structure of the Z domain of Staphylococcal protein A by combined analysis of residual dipolar coupling and NOE data.
Protein Sci., 13, 2004
5LRA
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BU of 5lra by Molmil
Plastidial phosphorylase PhoI from barley in complex with maltotetraose
Descriptor: Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M.
Deposit date:2016-08-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
8TGU
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BU of 8tgu by Molmil
Cryo-EM structure of BG505 SOSIP trimer purified via Galanthus nivalis lectin chromatography
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Envelope glycoprotein BG505 SOSIP, ...
Authors:Parsons, R.J, Pothula, K, Acharya, P.
Deposit date:2023-07-13
Release date:2024-08-28
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformational flexibility of HIV-1 envelope glycoproteins modulates transmitted/founder sensitivity to broadly neutralizing antibodies.
Nat Commun, 15, 2024
8TGW
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BU of 8tgw by Molmil
Cryo-EM structure of 1059 SOSIP trimer purified via Galanthus nivalis lectin chromatography
Descriptor: 1059 SOSIP Surface protein gp120, 1059 SOSIP Transmembrane protein gp41, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Parsons, R.J, Pothula, K, Acharya, P.
Deposit date:2023-07-13
Release date:2024-08-28
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Conformational flexibility of HIV-1 envelope glycoproteins modulates transmitted/founder sensitivity to broadly neutralizing antibodies.
Nat Commun, 15, 2024
8TVT
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BU of 8tvt by Molmil
Structure of human Cysteine desulfurase Nfs1 with L-propargylglycine bound to active site PLP in complex with ISD11, Acp1 and ISCU2
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
Authors:Cygler, M, Boniecki, M.T.
Deposit date:2023-08-18
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:D-Cysteine impairs tumor growth by inhibiting cysteine desulfurase NFS1
To Be Published
1Q9G
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BU of 1q9g by Molmil
NMR STRUCTURE OF THE OUTER MEMBRANE PROTEIN OMPX IN DHPC MICELLES
Descriptor: Outer membrane protein X
Authors:Fernandez, C, Hilty, C, Wider, G, Guntert, P, Wuthrich, K.
Deposit date:2003-08-25
Release date:2004-09-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the integral membrane protein OmpX
J.Mol.Biol., 336, 2004
5LR8
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BU of 5lr8 by Molmil
Structure of plastidial phosphorylase Pho1 from Barley
Descriptor: Alpha-1,4 glucan phosphorylase, CITRIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M.
Deposit date:2016-08-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
1RP4
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BU of 1rp4 by Molmil
Structure of Ero1p, Source of Disulfide Bonds for Oxidative Protein Folding in the Cell
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gross, E, Kastner, D.B, Kaiser, C.A, Fass, D.
Deposit date:2003-12-03
Release date:2004-06-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of ero1p, source of disulfide bonds for oxidative protein folding in the cell.
Cell(Cambridge,Mass.), 117, 2004
5LRB
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BU of 5lrb by Molmil
Plastidial phosphorylase from Barley in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M.
Deposit date:2016-08-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
5JMA
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BU of 5jma by Molmil
Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) domain
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Phosphoserine phosphatase, ...
Authors:Shree, S, Dubey, S, Agrawal, A, Ramachandran, R.
Deposit date:2016-04-28
Release date:2017-05-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of Mycobacterium avium SerB2 in complex with serine at catalytic (PSP) domain
To be published
1RLR
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BU of 1rlr by Molmil
STRUCTURE OF RIBONUCLEOTIDE REDUCTASE PROTEIN R1
Descriptor: RIBONUCLEOTIDE REDUCTASE PROTEIN R1
Authors:Uhlin, U, Eklund, H.
Deposit date:1994-08-12
Release date:1996-12-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of ribonucleotide reductase protein R1.
Nature, 370, 1994
5MD7
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BU of 5md7 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=-12
Descriptor: Capsid protein p24
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MD9
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BU of 5md9 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=6
Descriptor: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MD3
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BU of 5md3 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=12
Descriptor: Capsid protein p24
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDE
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BU of 5mde by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=0
Descriptor: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDA
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BU of 5mda by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=0
Descriptor: Gag protein
Authors:Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2016-11-10
Release date:2016-12-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016

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