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4Z1U
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MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者Cho, T.Y.
登録日2015-03-27
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors.
J. Cell. Mol. Med., 21, 2017
7XTW
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BU of 7xtw by Molmil
The structure of IsPETase in complex with MHET
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
4RML
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BU of 4rml by Molmil
Crystal structure of the Olfactomedin domain of latrophilin 3 in C2221 crystal form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Latrophilin-3, MAGNESIUM ION
著者Ranaivoson, F.M, Liu, Q, Martini, F, Bergami, F, Von daake, S, Li, S, Demeler, B, Hendrickson, W.A, Comoletti, D.
登録日2014-10-21
公開日2015-08-19
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and Mechanistic Insights into the Latrophilin3-FLRT3 Complex that Mediates Glutamatergic Synapse Development.
Structure, 23, 2015
4TPR
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BU of 4tpr by Molmil
Structure of Tau5 antibody Fab fragment
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, CHLORIDE ION, ...
著者Cehlar, O, Skrabana, R, Novak, M.
登録日2014-06-09
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Tau5 antibody Fab fragment
To Be Published
6SL2
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BU of 6sl2 by Molmil
ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative, ...
著者Pinotsis, N, Khan, M.B, Djinovic-Carugo, K.
登録日2019-08-18
公開日2020-08-26
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
6GKI
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BU of 6gki by Molmil
Structure of E coli MlaC in Variously Loaded States
分子名称: BROMIDE ION, GLYCEROL, Probable phospholipid-binding protein MlaC
著者Knowles, T.J, Lovering, A.L.
登録日2018-05-21
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol, 4, 2019
4TVU
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BU of 4tvu by Molmil
Crystal structure of trehalose synthase from Deinococcus radiodurans reveals a closed conformation for catalysis of the intramolecular isomerization
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
著者Wang, Y.L, Chow, S.Y, Lin, Y.T, Liaw, S.H.
登録日2014-06-28
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization.
Acta Crystallogr.,Sect.D, 70, 2014
4TOZ
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BU of 4toz by Molmil
MppA Periplasmic Murein Tripeptide Binding Protein, Unliganded Open Form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Periplasmic murein peptide-binding protein
著者Jeffery, C.J, Bhatt, F.
登録日2014-06-06
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Open Conformation of the E. coli Periplasmic Murein Tripeptide Binding Protein, MppA, at High Resolution
To Be Published
4RPC
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BU of 4rpc by Molmil
Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TETRAETHYLENE GLYCOL, putative alpha/beta hydrolase
著者Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-10-30
公開日2014-11-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the putative alpha/beta hydrolase family protein from Desulfitobacterium hafniense
To be Published
4TZ2
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BU of 4tz2 by Molmil
Fragment-Based Screening of the Bromodomain of ATAD2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ...
著者Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W.
登録日2014-07-09
公開日2014-10-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57, 2014
4U5R
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BU of 4u5r by Molmil
Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.55 Angstrom
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhCC
著者Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
登録日2014-07-25
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
4U63
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BU of 4u63 by Molmil
Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ...
著者Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T.
登録日2014-07-26
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
6UGP
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BU of 6ugp by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-206
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ...
著者Murray, A.B, Lomelino, C.L, McKenna, R.
登録日2019-09-26
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.306 Å)
主引用文献"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
4UEK
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BU of 4uek by Molmil
Galactitol-1-phosphate 5-dehydrogenase from E. coli with Tris within the active site.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION
著者Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M.
登録日2014-12-18
公開日2015-07-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
6A66
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BU of 6a66 by Molmil
Placental protein 13/galectin-13 variant R53H with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13
著者Su, J.Y.
登録日2018-06-26
公開日2018-12-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose
Biosci. Rep., 38, 2018
4ZO5
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BU of 4zo5 by Molmil
PDE10 complexed with 4-isopropoxy-2-(2-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)isoindoline-1,3-dione
分子名称: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione, 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, MAGNESIUM ION, ...
著者Yan, Y.
登録日2015-05-06
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of [(11)C]MK-8193 as a PET tracer to measure target engagement of phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 25, 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
6AT2
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BU of 6at2 by Molmil
E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tang, H.Y.H, Shin, D.S, Tainer, J.A.
登録日2017-08-27
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6B4X
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BU of 6b4x by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ...
著者Taylor, A.B.
登録日2017-09-27
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6B53
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BU of 6b53 by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T Mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase
著者Taylor, A.B.
登録日2017-09-27
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
4XAT
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BU of 4xat by Molmil
Crystal structure of the olfactomedin domain from noelin/pancortin/olfactomedin-1
分子名称: CALCIUM ION, GLYCEROL, Noelin, ...
著者Hill, S.E, Nguyen, E, Lieberman, R.L.
登録日2014-12-15
公開日2015-07-15
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies.
Plos One, 10, 2015
6AOK
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BU of 6aok by Molmil
Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal TEV protease cleavage sequence
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ceg4, ...
著者Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A.
登録日2017-08-16
公開日2018-01-10
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways.
J. Biol. Chem., 293, 2018
6B4Z
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BU of 6b4z by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
著者Taylor, A.B.
登録日2017-09-27
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
4XRZ
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BU of 4xrz by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ...
著者Johnson, E.F, Fan, Y.
登録日2015-01-21
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4YDK
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BU of 4ydk by Molmil
Crystal structure of broadly and potently neutralizing antibody C38-VRC16.01 in complex with HIV-1 clade AE strain 93TH057 gp120
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zhou, T, Moquin, S, Zheng, A, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015

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