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4WFY
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BU of 4wfy by Molmil
Coxsackievirus B3 Polymerase - F232L Mutant - AmSO4 Crystal Form
Descriptor: GLYCEROL, RNA-directed RNA polymerase, SULFATE ION
Authors:Peersen, O.B, McDonald, S.M.
Deposit date:2014-09-17
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure-Function Relationships Underlying the Replication Fidelity of Viral RNA-Dependent RNA Polymerases.
J.Virol., 89, 2015
7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PB5
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BU of 7pb5 by Molmil
Crystal structure of CD73 in complex with UMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-30
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-28
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
Descriptor: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
3EAN
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BU of 3ean by Molmil
Crystal structure of recombinant rat selenoprotein thioredoxin reductase 1 with reduced C-terminal tail
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
Authors:Sandalova, T, Cheng, Q, Lindqvist, Y, Arner, E.
Deposit date:2008-08-26
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure and catalysis of the selenoprotein thioredoxin reductase 1.
J.Biol.Chem., 284, 2009
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
Descriptor: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
Descriptor: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
1AK9
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BU of 1ak9 by Molmil
SUBTILISIN MUTANT 8321
Descriptor: CALCIUM ION, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Whitlow, M, Howard, A.J, Wood, J.F.
Deposit date:1997-05-30
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
3VI7
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BU of 3vi7 by Molmil
Human hematopoietic prostaglandin D synthase inhibitor complex structures
Descriptor: CALCIUM ION, CIBACRON BLUE, GLUTATHIONE, ...
Authors:Kado, Y, Inoue, T.
Deposit date:2011-09-21
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human hematopoietic prostaglandin D synthase inhibitor complex structures
J.Biochem., 151, 2012
173L
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BU of 173l by Molmil
PROTEIN FLEXIBILITY AND ADAPTABILITY SEEN IN 25 CRYSTAL FORMS OF T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, T4 LYSOZYME
Authors:Xiong, X.-P, Zhang, X.-J, Sun, D, Matthews, B.W.
Deposit date:1995-03-24
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
177L
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BU of 177l by Molmil
Protein flexibility and adaptability seen in 25 crystal forms of T4 LYSOZYME
Descriptor: T4 LYSOZYME
Authors:Matsumura, M, Weaver, L, Zhang, X.-J, Matthews, B.W.
Deposit date:1995-03-24
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protein flexibility and adaptability seen in 25 crystal forms of T4 lysozyme.
J.Mol.Biol., 250, 1995
1A2Q
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BU of 1a2q by Molmil
SUBTILISIN BPN' MUTANT 7186
Descriptor: ACETONE, CALCIUM ION, SUBTILISIN BPN'
Authors:Gilliland, G.L, Whitlow, M, Howard, A.J.
Deposit date:1998-01-08
Release date:1998-04-29
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
4WUI
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BU of 4wui by Molmil
Crystal structure of TrpF from Jonesia denitrificans
Descriptor: CITRIC ACID, N-(5'-phosphoribosyl)anthranilate isomerase
Authors:Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
6E0D
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BU of 6e0d by Molmil
X-ray structure of a complex of thaumatin with xylene cyanol
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, L(+)-TARTARIC ACID, Thaumatin I
Authors:McPherson, A.
Deposit date:2018-07-06
Release date:2018-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Investigation into the binding of dyes within protein crystals.
Acta Crystallogr F Struct Biol Commun, 74, 2018
1I2Y
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BU of 1i2y by Molmil
1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM
Descriptor: DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE
Authors:Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M.
Deposit date:2001-02-12
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
4WNL
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BU of 4wnl by Molmil
The X-ray structure of a RNA-binding protein complex
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Singh, N, Blobel, G, Shi, H.
Deposit date:2014-10-13
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Hooking She3p onto She2p for myosin-mediated cytoplasmic mRNA transport.
Proc.Natl.Acad.Sci.USA, 112, 2015
6L8Q
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BU of 6l8q by Molmil
Complex structure of bat CD26 and MERS-RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Yuan, Y.
Deposit date:2019-11-07
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species.
J.Virol., 94, 2020
4OHB
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BU of 4ohb by Molmil
Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens
Descriptor: 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase
Authors:Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X.
Deposit date:2014-01-17
Release date:2014-06-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
8ORV
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BU of 8orv by Molmil
Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203
Descriptor: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165
Authors:Duchoslav, V, Klima, M, Boura, E.
Deposit date:2023-04-17
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8G48
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BU of 8g48 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form
Descriptor: Fluorophosphonate-binding serine hydrolase E
Authors:Fellner, M.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form
To Be Published
8G49
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BU of 8g49 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M, Bakker, A.T, Martin, N.I, Stelt, M.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound
To be published
8ORW
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BU of 8orw by Molmil
Crystal structure of human STING in complex with the agonist MD1203
Descriptor: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
Authors:Klima, M, Boura, E.
Deposit date:2023-04-17
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024

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PDB entries from 2024-07-10

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