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4CRJ
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BU of 4crj by Molmil
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor
Descriptor: 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE (HPPK), DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Swarbrick, J.D, Peat, T.S.
Deposit date:2014-02-27
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
4CDI
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BU of 4cdi by Molmil
Crystal structure of AcrB-AcrZ complex
Descriptor: ACRIFLAVINE RESISTANCE PROTEIN B, PREDICTED PROTEIN
Authors:Du, D, James, N, Klimont, E, Luisi, B.F.
Deposit date:2013-10-31
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of the Acrab-Tolc Multidrug Efflux Pump.
Nature, 509, 2014
6ITP
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BU of 6itp by Molmil
Crystal structure of cortisol complexed with its nanobody at pH 3.5
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, anti-cortisol camelid antibody
Authors:Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y.
Deposit date:2018-11-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.572 Å)
Cite:Structural insights into the mechanism of single domain VHH antibody binding to cortisol.
Febs Lett., 593, 2019
4EKX
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BU of 4ekx by Molmil
Crystal Structure of YLDV 14L IL-18 Binding Protein in Complex with Human IL-18
Descriptor: 14L protein, Interleukin-18
Authors:Krumm, B.E, Xiang, Y, Deng, J.
Deposit date:2012-04-10
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique bivalent binding and inhibition mechanism by the yatapoxvirus interleukin 18 binding protein.
Plos Pathog., 8, 2012
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
Deposit date:2019-05-07
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
5OR1
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BU of 5or1 by Molmil
BamA structure of Salmonella enterica
Descriptor: Outer membrane protein assembly factor BamA
Authors:Dong, C, Gu, Y.
Deposit date:2017-08-14
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:BamA beta 16C strand and periplasmic turns are critical for outer membrane protein insertion and assembly.
Biochem. J., 474, 2017
4C48
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BU of 4c48 by Molmil
Crystal structure of AcrB-AcrZ complex
Descriptor: ACRIFLAVINE RESISTANCE PROTEIN B, DARPIN, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Du, D, James, N, Klimont, E, Luisi, B.F.
Deposit date:2013-09-02
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the AcrAB-TolC multidrug efflux pump.
Nature, 509, 2014
4CWB
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BU of 4cwb by Molmil
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor
Descriptor: 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Swarbrick, J.D, Peat, T.S.
Deposit date:2014-04-02
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
4CYU
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BU of 4cyu by Molmil
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Swarbrick, J.D, Peat, T.S.
Deposit date:2014-04-15
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
5WXB
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BU of 5wxb by Molmil
crystal structure of ZIKV MTase in complex with SAH
Descriptor: MRNA cap 0-1 NS5-type MT, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yang, H, Wang, L, Zhou, H.
Deposit date:2017-01-07
Release date:2017-05-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:The conformational changes of Zika virus methyltransferase upon converting SAM to SAH
Oncotarget, 8, 2017
4FN5
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BU of 4fn5 by Molmil
ELONGATION FACTOR G 1 (PSEUDOMONAS AERUGINOSA) IN COMPLEX WITH Argyrin B
Descriptor: Argyrin B, Elongation factor G 1
Authors:Kirby, C.A, Palestrant, D.
Deposit date:2012-06-19
Release date:2012-09-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of elongation factor g as the conserved cellular target of argyrin B.
Plos One, 7, 2012
8XN7
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BU of 8xn7 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
Descriptor: 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Huang, W.X, Liu, R, Ding, K.
Deposit date:2023-12-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
8WD5
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BU of 8wd5 by Molmil
Crystal structure of farnesyl diphosphate synthase FPPS1 from silkworm, Bombyx mori
Descriptor: Farnesyl pyrophosphate synthase, GLYCEROL
Authors:Guo, P.C, Fang, H.
Deposit date:2023-09-14
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Substrate Binding of Farnesyl Diphosphate Synthase FPPS1 from Silkworm, Bombyx mori.
J.Agric.Food Chem., 72, 2024
5BPF
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BU of 5bpf by Molmil
Crystal structure of ADP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, ...
Authors:Tran, H.T, Kang, L.W, Hong, M.K.
Deposit date:2015-05-28
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
5BPH
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BU of 5bph by Molmil
Crystal structure of AMP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Tran, H.T, Kang, L.W, Hong, M.K.
Deposit date:2015-05-28
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
5B73
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BU of 5b73 by Molmil
Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain
Descriptor: Protein kinase C-binding protein 1, ZINC ION
Authors:Li, H, Li, Y, Zheng, X.
Deposit date:2016-06-03
Release date:2016-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016
4XX1
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BU of 4xx1 by Molmil
Low resolution structure of LCAT in complex with Fab1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 heavy chain, Fab1 light chain, ...
Authors:Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T.
Deposit date:2015-01-29
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The high-resolution crystal structure of human LCAT.
J.Lipid Res., 56, 2015
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
Descriptor: DRVIA7 Heavy Chain, DRVIA7 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-02
Release date:2016-04-06
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
5C1O
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BU of 5c1o by Molmil
Crystal structure of AMP-PNP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Descriptor: D-alanine--D-alanine ligase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Tran, H.T, Kang, L.W, Hong, M.K.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
4XWG
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BU of 4xwg by Molmil
Crystal Structure of LCAT (C31Y) in complex with Fab1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 Heavy Chain, Fab1 Light Chain, ...
Authors:Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T.
Deposit date:2015-01-28
Release date:2015-07-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The high-resolution crystal structure of human LCAT.
J.Lipid Res., 56, 2015
5C1P
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BU of 5c1p by Molmil
Crystal structure of ADP and D-alanyl-D-alanine complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, ...
Authors:Tran, H.T, Kang, L.W, Hong, M.K, Ngo, H.P.T.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 93TH057 HIV-1 gp120 core, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2015-07-03
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.396 Å)
Cite:Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
8EFN
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BU of 8efn by Molmil
Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP
Descriptor: 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
Authors:Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
Deposit date:2022-09-08
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8EFM
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BU of 8efm by Molmil
Structure of coral STING receptor from Stylophora pistillata in complex with 2',3'-cGAMP
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
Deposit date:2022-09-08
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023

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