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7SGF
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BU of 7sgf by Molmil
Lassa virus glycoprotein construct (Josiah GPC-I53-50A) in complex with LAVA01 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
著者Antanasijevic, A, Brouwer, P.J.M, Ward, A.B.
登録日2021-10-05
公開日2022-10-12
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (4.41 Å)
主引用文献Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022
7SIE
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BU of 7sie by Molmil
Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis
分子名称: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
著者Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
登録日2021-10-13
公開日2022-10-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
7SGE
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BU of 7sge by Molmil
I53-50 nanoparticle core reconstructed from GPC-I53-50NP by focused refinement
分子名称: I53-50B component, Josiah GPCysR4-I53-50A - nanoparticle component
著者Antanasijevic, A, Brouwer, P.J.M, Ward, A.B.
登録日2021-10-05
公開日2022-10-12
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022
4YYU
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BU of 4yyu by Molmil
Ficin C crystal form I
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ficin isoform C, SULFATE ION
著者Azarkan, M, Baeyens-Volant, D, Loris, R.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.177 Å)
主引用文献Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
3GW8
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BU of 3gw8 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with vanadate and glycerol
分子名称: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-31
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
7SJK
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BU of 7sjk by Molmil
Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
分子名称: CALCIUM ION, Pls Plasmin sensitive surface protein
著者Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-18
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
4Z16
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BU of 4z16 by Molmil
Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide
分子名称: N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide, Tyrosine-protein kinase JAK3
著者McNally, R, Tan, L, Gray, N.S, Eck, M.J.
登録日2015-03-26
公開日2016-02-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of Selective Covalent Janus Kinase 3 Inhibitors.
J.Med.Chem., 58, 2015
7SGD
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BU of 7sgd by Molmil
Lassa virus glycoprotein construct(Josiah GPCysR4) recovered from GPC-I53-50 nanoparticle by localized reconstruction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
著者Antanasijevic, A, Brouwer, P.J.M, Ward, A.B.
登録日2021-10-05
公開日2022-10-12
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Lassa virus glycoprotein nanoparticles elicit neutralizing antibody responses and protection.
Cell Host Microbe, 30, 2022
3DRP
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BU of 3drp by Molmil
HIV reverse transcriptase in complex with inhibitor R8e
分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y, Prasad, S.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
分子名称: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
著者Harris, S.F, Villasenor, A.
登録日2008-07-30
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
4YQL
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BU of 4yql by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YWF
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BU of 4ywf by Molmil
AbyA5
分子名称: AbyA5
著者Byrne, M.J, Race, P.R.
登録日2015-03-20
公開日2016-06-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
3GM7
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BU of 3gm7 by Molmil
1.58 A resolution X-ray structure of (CUG)6
分子名称: 5'-R(*CP*UP*GP*CP*UP*GP*CP*UP*GP*CP*UP*GP*CP*UP*GP*CP*UP*G)-3'
著者Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
登録日2009-03-13
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
4XAB
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BU of 4xab by Molmil
Crystal Structure of EvdO2 from Micromonospora carbonacea var. aurantiaca
分子名称: EvdO2, IMIDAZOLE, NICKEL (II) ION
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-13
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-04
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XI3
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BU of 4xi3 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene
分子名称: Bazedoxifene, Estrogen receptor
著者Fanning, S.W, Mayne, C.G, Toy, W, Carlson, K, Greene, B, Nowak, J, Walter, R, Panchamukhi, S, Tajhorshid, E, Nettles, K.W, Chandarlapaty, S, Katzenellenbogen, J, Greene, G.L.
登録日2015-01-06
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.
Elife, 7, 2018
4XAA
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BU of 4xaa by Molmil
Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57
分子名称: NICKEL (II) ION, Putative oxygenase
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-13
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XCB
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BU of 4xcb by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound
分子名称: 2-OXOGLUTARIC ACID, HYGROMYCIN B VARIANT, NICKEL (II) ION, ...
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-17
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
3H0Q
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BU of 3h0q by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 3
分子名称: 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase
著者Zhang, H, Tong, L.
登録日2009-04-10
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3GN2
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BU of 3gn2 by Molmil
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730)
分子名称: 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Brenk, R, Hunter, W.N.
登録日2009-03-16
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
3GOE
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BU of 3goe by Molmil
Molecular Mimicry of SUMO promotes DNA repair
分子名称: CALCIUM ION, DNA repair protein rad60
著者Perry, J.J.P.
登録日2009-03-19
公開日2009-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Molecular mimicry of SUMO promotes DNA repair.
Nat.Struct.Mol.Biol., 16, 2009
2V59
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BU of 2v59 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
分子名称: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
4X9W
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BU of 4x9w by Molmil
PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C
分子名称: Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1
著者Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
著者Clawson, D.K.
登録日2014-12-15
公開日2015-02-11
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XBZ
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BU of 4xbz by Molmil
Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca
分子名称: EvdO1, GLYCEROL, NICKEL (II) ION
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2014-12-17
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015

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