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6W1I
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BU of 6w1i by Molmil
Re-interpretation of ppGpp (G4P) electron density in the deposited crystal structure of Xanthine phosphoribosyltransferase (XPRT) (1Y0B).
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, SODIUM ION, Xanthine phosphoribosyltransferase
Authors:Satyshur, K.A, Anderson, B.W, Keck, J.L, Midwest Center for Structural Genomics (MCSG)
Deposit date:2020-03-04
Release date:2020-07-29
Last modified:2021-04-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Mechanism of Regulation of the Purine Salvage Enzyme XPRT by the Alarmones pppGpp, ppGpp, and pGpp.
J.Mol.Biol., 432, 2020
5IY5
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BU of 5iy5 by Molmil
Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T.
Deposit date:2016-03-24
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
5MIW
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BU of 5miw by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Prokofev, I.I, Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2016-11-29
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uracil at 1.28 A.
To Be Published
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K38
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BU of 3k38 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K3A
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BU of 3k3a by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
5NEX
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BU of 5nex by Molmil
The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with agmatine
Descriptor: AGMATINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION
Authors:Huang, L, Wang, J, Lilley, D.M.J.
Deposit date:2017-03-13
Release date:2017-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5J0Y
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BU of 5j0y by Molmil
Binary complex crystal structure of DNA polymerase Beta with T:T mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
3G6E
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BU of 3g6e by Molmil
Co-crystal structure of Homoharringtonine bound to the large ribosomal subunit
Descriptor: (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 23S ribosomal RNA, 50S ribosomal protein L10E, ...
Authors:Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
Deposit date:2009-02-06
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
5JYD
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BU of 5jyd by Molmil
Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-13
Release date:2016-06-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TBD
to be published
5JXJ
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BU of 5jxj by Molmil
Structure of the proprotein convertase furin complexed to meta-guanidinomethyl-Phac-RVR-Amba in presence of EDTA
Descriptor: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5GTL
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BU of 5gtl by Molmil
NADPH complex structure of Aldehyde Dehydrogenase from Bacillus cereus
Descriptor: Betaine-aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION
Authors:Ngo, H.P.T, Hong, S.H, Ho, T.H, Oh, D.K, Kang, L.W.
Deposit date:2016-08-21
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of aldehyde dehydrogenase from Bacillus cereus having atypical bidirectional oxidizing and reducing activities for all-trans-retinal
To Be Published
3G71
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BU of 3g71 by Molmil
Co-crystal structure of Bruceantin bound to the large ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
Deposit date:2009-02-09
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
4FR8
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BU of 4fr8 by Molmil
Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Lang, B.S, Gruber, K.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Vascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY.
J.Biol.Chem., 287, 2012
3G4S
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BU of 3g4s by Molmil
Co-crystal structure of Tiamulin bound to the large ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L10e, ...
Authors:Gurel, G, Blaha, G, Moore, P.B, Steitz, T.A.
Deposit date:2009-02-04
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:U2504 determines the species specificity of the A-site cleft antibiotics: the structures of tiamulin, homoharringtonine, and bruceantin bound to the ribosome.
J.Mol.Biol., 389, 2009
4CDB
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BU of 4cdb by Molmil
Crystal structure of listeriolysin O
Descriptor: ACETATE ION, LISTERIOLYSIN O, SODIUM ION, ...
Authors:Koester, S, Yildiz, O.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Listeriolysin O Reveals Molecular Details of Oligomerization and Pore Formation
Nat.Commun., 5, 2014
4TUR
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BU of 4tur by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2)
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2014-06-24
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
3HK7
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BU of 3hk7 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
4YY2
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BU of 4yy2 by Molmil
Computationally designed left-handed alpha/alpha toroid with 3 repeats in space group P212121
Descriptor: SODIUM ION, dTor_3x33L
Authors:Hallinan, J.P, Bradley, P, Stoddard, B.L.
Deposit date:2015-03-23
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4GDI
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BU of 4gdi by Molmil
A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/164/2009
Descriptor: 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, CALCIUM ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2012-07-31
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
4TUS
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BU of 4tus by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) WITH MANGANESE IN THE ACTIVE SITE.
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2014-06-24
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
4TUQ
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BU of 4tuq by Molmil
Human DNA polymerase beta inserting dCMPNPP opposite GG template (GG0b).
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*AP*TP*GP*GP*GP*C)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2014-06-24
Release date:2014-10-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.367 Å)
Cite:Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta.
J.Biol.Chem., 289, 2014
4TXO
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BU of 4txo by Molmil
Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)
Descriptor: Blr1131 protein, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Scharer, M.A, Abicht, H.K, Glockshuber, R, Hennecke, H.
Deposit date:2014-07-04
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Periplasmic Thioredoxin TlpA Reduces Bacterial Copper Chaperone ScoI and Cytochrome Oxidase Subunit II (CoxB) Prior to Metallation.
J.Biol.Chem., 289, 2014
6O4Z
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BU of 6o4z by Molmil
Structure of HLA-A2:01 with peptide MM92
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Ying, G, Bitra, A, Zajonc, D.M.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients.
Front Immunol, 10, 2019
6DXU
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BU of 6dxu by Molmil
Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS)
Descriptor: BICINE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
Authors:Little, M.S, Redinbo, M.R.
Deposit date:2018-06-30
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018

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