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7KZ0
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BU of 7kz0 by Molmil
Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine
分子名称: DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ...
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2020-12-09
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
5H4H
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BU of 5h4h by Molmil
Structure of PIN-domain protein (VapC4 toxin) from Pyrococcus horikoshii determined at 2.2 A resolution
分子名称: CADMIUM ION, Ribonuclease VapC4
著者Biswas, A, Hatti, K, Srinivasan, N, Murthy, M.R.N, Sekar, K.
登録日2016-10-31
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure determination of contaminant proteins using the MarathonMR procedure
J. Struct. Biol., 197, 2017
7KFQ
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BU of 7kfq by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 1H-Indole-3-Carboxylic Acid
分子名称: 1H-INDOLE-3-CARBOXYLIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-14
公開日2021-11-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6HPX
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BU of 6hpx by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 19
分子名称: 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
著者Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6CTA
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BU of 6cta by Molmil
Structure of the human cGAS-DNA complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), ...
著者Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-03-22
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.779 Å)
主引用文献Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
6HQ2
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BU of 6hq2 by Molmil
Structure of EAL Enzyme Bd1971 - apo form
分子名称: EAL Enzyme Bd1971
著者Lovering, A.L, Cadby, I.T.
登録日2018-09-24
公開日2019-07-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
6YQ8
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BU of 6yq8 by Molmil
Crystal structure of native Phycocyanin from T. elongatus in spacegroup P63 at 1.8 Angstroms
分子名称: 1,2-ETHANEDIOL, C-phycocyanin alpha chain, C-phycocyanin beta chain, ...
著者Feiler, C.G, Falke, S, Sarrou, I.
登録日2020-04-16
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
6FAJ
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BU of 6faj by Molmil
The structure of Human Methionine Adenosyltransferase II in apo state
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-2, ...
著者Bradley-Clarke, J, Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-12-15
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds
Febs J., 2020
8SSN
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BU of 8ssn by Molmil
Abl kinase in complex with SKI and asciminib
分子名称: 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Ludewig, H, Kim, C, Kern, D.
登録日2023-05-08
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
6YQM
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BU of 6yqm by Molmil
Human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with dGMP and refined to 1.02 A
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1
著者Dolot, R.D, Seda, A, Nawrot, B.C.
登録日2020-04-17
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
7KFS
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BU of 7kfs by Molmil
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Benzoic Acid
分子名称: BENZOIC ACID, SULFATE ION, Transcriptional regulator, ...
著者Walton, W.G, Redinbo, M.R, Dangl, J.L.
登録日2020-10-14
公開日2021-11-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
6PVD
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BU of 6pvd by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-NV18.1
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Awad, W, Rossjohn, J.
登録日2019-07-20
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YRQ
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BU of 6yrq by Molmil
Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 4.6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-04-20
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
8AHM
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BU of 8ahm by Molmil
Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Oliva, M.A, Diaz, J.F, Altmann, K.H.
登録日2022-07-22
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z.
Angew.Chem.Int.Ed.Engl., 62, 2023
6PX6
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BU of 6px6 by Molmil
HLA-TCR complex
分子名称: DQ2.2-glut-L1, HLA class II histocompatibility antigen DQ alpha chain, HLA class II histocompatibility antigen DQ beta chain, ...
著者Ting, Y.T, Reid, H.H, Rossjohn, J.
登録日2019-07-24
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.00000334 Å)
主引用文献A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease.
Proc.Natl.Acad.Sci.USA, 117, 2020
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
6FBQ
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BU of 6fbq by Molmil
Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 7.0
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, DNA (5'-D(*CP*TP*GP*GP*GP*TP*CP*AP*AP*AP*GP*TP*TP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*AP*AP*CP*TP*TP*TP*GP*AP*CP*CP*CP*AP*G)-3'), ...
著者McEwen, A.G, Poussin-Courmontagne, P, Osz, J, Rochel, N.
登録日2017-12-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modulation of RXR-DNA complex assembly by DNA context.
Mol. Cell. Endocrinol., 481, 2019
5VT1
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BU of 5vt1 by Molmil
Crystal Structure of the Human CAMKK2B bound to a thiadiazinone benzamide inhibitor
分子名称: 4-({5-[(3-hydroxy-4-methylphenyl)amino]-4-oxo-4H-1,2,6-thiadiazin-3-yl}amino)benzamide, Calcium/calmodulin-dependent protein kinase kinase 2, MAGNESIUM ION
著者Counago, R.M, Asquith, C.R.M, Arruda, P, Edwards, A.M, Gileadi, O, Kalogirou, A.S, Koutentis, P.A, Structural Genomics Consortium (SGC)
登録日2017-05-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
Molecules, 23, 2018
5GUF
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BU of 5guf by Molmil
Structural insight into an intramembrane enzyme for archaeal membrane lipids biosynthesis
分子名称: CDP-archaeol synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, W, Ren, S.
登録日2016-08-29
公開日2017-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structural and mechanistic insights into the biosynthesis of CDP-archaeol in membranes.
Cell Res., 27, 2017
6FBO
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BU of 6fbo by Molmil
Human Methionine Adenosyltransferase II mutant (S114A) in I222 crystal form
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ...
著者Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
分子名称: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
5VQD
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BU of 5vqd by Molmil
Beta-glucoside phosphorylase BglX
分子名称: Beta-glucoside phosphorylase BglX, GLYCEROL
著者Patel, A, Mark, B.L.
登録日2017-05-08
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
7KNR
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BU of 7knr by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W.
登録日2020-11-05
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558
To Be Published
6PXX
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BU of 6pxx by Molmil
Class D beta-lactamase in complex with beta-lactam antibiotic
分子名称: (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者van den Akker, F, Kumar, V.
登録日2019-07-28
公開日2019-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019

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