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6RR9
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DNA/RNA binding protein
分子名称: GLYCEROL, SULFATE ION, Schlafen family member 5, ...
著者Huber, E, Lammens, K.
登録日2019-05-17
公開日2020-07-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.432 Å)
主引用文献Structural and biochemical characterization of human Schlafen 5.
Nucleic Acids Res., 2022
5IJ2
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BU of 5ij2 by Molmil
SrpA adhesin in complex with sialyllactosamine
分子名称: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Iverson, T.M.
登録日2016-03-01
公開日2017-02-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
6RSD
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BU of 6rsd by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
4PKK
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BU of 4pkk by Molmil
Crystal structure of Macrophage Migration inhibitory factor in complex with furan-2-ylmethyl)imino methanethiol
分子名称: (Z)-[(furan-2-ylmethyl)imino]methanethiol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Pantouris, G, Lolis, E.
登録日2014-05-14
公開日2016-05-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of Macrophage Migration inhibitory factor with a covalent inhibitor
To Be Published
6RSU
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TBK1 in complex with Inhibitor compound 35
分子名称: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1
著者Panne, D, Hillig, R.C, Rengachari, S.
登録日2019-05-22
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
6RTT
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BU of 6rtt by Molmil
Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with picolinic acid
分子名称: GLYCEROL, PYRIDINE-2-CARBOXYLIC ACID, SULFATE ION, ...
著者Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I.
登録日2019-05-26
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
6RTB
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BU of 6rtb by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2B
分子名称: Alpha-synuclein
著者Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
登録日2019-05-22
公開日2019-06-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
4UU3
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BU of 4uu3 by Molmil
Ferulic acid decarboxylase from Enterobacter sp.
分子名称: FERULIC ACID DECARBOXYLASE
著者Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
登録日2014-07-24
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
6RWD
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BU of 6rwd by Molmil
Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution
分子名称: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, CHLORIDE ION, GLUTATHIONE, ...
著者Olfsen, J, Pandian, R, Sayed, Y, Dirr, H.W, Achilonu, I.A.
登録日2019-06-04
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies.
Mol.Biochem.Parasitol., 240, 2020
6RUG
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BU of 6rug by Molmil
Co-substituted alpha-Keggin bound to Proteinase K solved by MR
分子名称: Co-substituted alpha-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-28
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
5I29
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BU of 5i29 by Molmil
TAF1(2) bound to a pyrrolopyridone compound
分子名称: CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
著者Tang, Y, Poy, F, Bellon, S.F.
登録日2016-02-08
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5IM5
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BU of 5im5 by Molmil
Crystal structure of designed two-component self-assembling icosahedral cage I53-40
分子名称: Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase
著者Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O.
登録日2016-03-05
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.699 Å)
主引用文献Accurate design of megadalton-scale two-component icosahedral protein complexes.
Science, 353, 2016
6RXC
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BU of 6rxc by Molmil
Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
著者Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S.
登録日2019-06-07
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022
6RZ8
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BU of 6rz8 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ...
著者Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
6RY2
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BU of 6ry2 by Molmil
Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,2-mannobiose
分子名称: ACETATE ION, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
著者Essen, L.-O, Vogt, M.S.
登録日2019-06-10
公開日2020-08-12
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RZE
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BU of 6rze by Molmil
Crystal structure of E. coli Adenylate kinase R119A mutant
分子名称: Adenylate kinase, CHLORIDE ION, SODIUM ION
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2019-06-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
7S51
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BU of 7s51 by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA peptide
分子名称: LEU-PRO-ALA-THR-ALA, Sortase
著者Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
6RZI
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.095 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
5IOD
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BU of 5iod by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/V99E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Robinson, A.C, Schlessman, J.L, Theodoru, A, Garcia-Moreno E, B.
登録日2016-03-08
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V66H/V99E at cryogenic temperature
To be Published
7S4O
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BU of 7s4o by Molmil
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATS peptide
分子名称: LEU-PRO-ALA-THR-SER-GLY, Sortase
著者Johnson, D.A, Svendsen, J.E, Antos, J.M, Amacher, J.F.
登録日2021-09-09
公開日2022-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.396 Å)
主引用文献Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
6RZJ
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
4PNG
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BU of 4png by Molmil
Glutathione S-transferase from Drosophila melanogaster - isozyme E7
分子名称: L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, LD04004p
著者Scian, M, Le Trong, I, Mannervik, B, Atkins, W.M, Stenkamp, R.E.
登録日2014-05-23
公開日2015-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Comparison of epsilon- and delta-class glutathione S-transferases: the crystal structures of the glutathione S-transferases DmGSTE6 and DmGSTE7 from Drosophila melanogaster.
Acta Crystallogr.,Sect.D, 71, 2015
6RZM
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Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine)
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Thermodynamic studies of halogen-bond interactions in galectin-3
to be published
4WBK
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BU of 4wbk by Molmil
The 1.37 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid
分子名称: Fatty acid-binding protein, heart, STEARIC ACID
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Murakami, S, Inoue, T, Murata, M.
登録日2014-09-03
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Molecular Dynamics Simulations of Heart-type Fatty Acid Binding Protein in Apo and Holo Forms, and Hydration Structure Analyses in the Binding Cavity
J.Phys.Chem.B, 119, 2015
6RZP
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Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator.
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H.
登録日2019-06-13
公開日2019-07-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023

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