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5UX7
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Activated state yeast Glycogen Synthase in complex with UDP-xylose
分子名称: 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2, URIDINE-5'-DIPHOSPHATE, ...
著者Mahalingan, K.K, Hurley, T.D.
登録日2017-02-22
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Activated state yeast Glycogen Synthase in complex with UDP-xylose
To Be Published
1G0V
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THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ...
著者Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J.
登録日2000-10-09
公開日2001-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae.
J.Biol.Chem., 276, 2001
5HD0
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BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-04
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDU
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BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
6TP4
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Crystal structure of the Orexin-1 receptor in complex with ACT-462206
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-12
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
5ZNM
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Colicin D Central Domain and C-terminal tRNase domain
分子名称: Colicin-D, GLYCEROL, SULFATE ION
著者Chang, J.W, Sato, Y, Ogawa, T, Arakawa, T, Fukai, S, Fushinobu, S, Masaki, H.
登録日2018-04-10
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the central and the C-terminal RNase domains of colicin D implicated its translocation pathway through inner membrane of target cell
J. Biochem., 164, 2018
4Z98
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Crystal Structure of Hen Egg White Lysozyme using Serial X-ray Diffraction Data Collection
分子名称: ACETATE ION, Lysozyme C
著者Murray, T.D, Lyubimov, A.Y, Ogata, C.M, Uervirojnangkoorn, M, Brunger, A.T, Berger, J.M.
登録日2015-04-10
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4BEY
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BU of 4bey by Molmil
Night blindness causing G90D rhodopsin in complex with GaCT2 peptide
分子名称: ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ...
著者Singhal, A, Ostermaier, M.K, Vishnivetskiy, S.A, Panneels, V, Homan, K.T, Tesmer, J.J.G, Veprintsev, D, Deupi, X, Gurevich, V.V, Schertler, G.F.X, Standfuss, J.
登録日2013-03-12
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Insights Into Congenital Stationary Night Blindness Based on the Structure of G90D Rhodopsin.
Embo Rep., 14, 2013
5HDV
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BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
2Y1O
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Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
分子名称: (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L.
登録日2010-12-09
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
ACS Med Chem Lett, 3, 2012
3IWN
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Co-crystal structure of a bacterial c-di-GMP riboswitch
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), C-di-GMP riboswitch, U1 small nuclear ribonucleoprotein A
著者Kulshina, N, Baird, N.J, Ferre-D'Amare, A.R.
登録日2009-09-02
公開日2009-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Recognition of the bacterial second messenger cyclic diguanylate by its cognate riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
5FCR
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MOUSE COMPLEMENT FACTOR D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Complement factor D, DIMETHYL SULFOXIDE, ...
著者Mac Sweeney, A.
登録日2015-12-15
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
1HWM
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EBULIN,ORTHORHOMBIC CRYSTAL FORM MODEL
分子名称: EBULIN, alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose
著者Pascal, J.M, Day, P.J, Monzingo, A.F, Ernst, S.R, Robertus, J.D.
登録日2001-01-09
公開日2001-01-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献2.8-A crystal structure of a nontoxic type-II ribosome-inactivating protein, ebulin l.
Proteins, 43, 2001
5VYH
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Crystal Structure of MERS-CoV S1 N-terminal Domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ...
著者Wang, N, Wrapp, D, Pallesen, J, Ward, A.B, McLellan, J.S.
登録日2017-05-25
公開日2017-08-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7ZEH
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Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7Guanine
分子名称: 1,2-ETHANEDIOL, 7-methylguanosine phosphate-specific 5'-nucleotidase, D-ribulose, ...
著者Kubacka, D, Kozarski, M, Baranowski, M.R, Wojcik, R, Jemielity, J, Kowalska, J, Basquin, J.
登録日2022-03-31
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate-Based Design of Cytosolic Nucleotidase IIIB Inhibitors and Structural Insights into Inhibition Mechanism.
Pharmaceuticals, 15, 2022
6VFE
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Gasdermin D pore
分子名称: Gasdermin-D, N-terminal
著者Xia, S, Ruan, J, Wu, H.
登録日2020-01-03
公開日2021-04-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
4ZZ3
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Human GAR transformylase in complex with GAR and pemetrexed
分子名称: GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
著者Deis, S.M, Dann III, C.E.
登録日2015-05-22
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
3KXO
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An orally active inhibitor bound at the active site of HPGDS
分子名称: 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ...
著者Kiefer, J.R, Day, J.E, Thorarensen, A.
登録日2009-12-03
公開日2010-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
3L4X
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Crystal complex of N-terminal Human Maltase-Glucoamylase with NR4-8
分子名称: (1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 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Sim, L, Rose, D.R.
登録日2009-12-21
公開日2010-02-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
5HE5
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BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
6KIF
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Structure of cyanobacterial photosystem I-IsiA-flavodoxin supercomplex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2019-07-18
公開日2020-02-12
最終更新日2020-03-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex.
Nat.Plants, 6, 2020
7JXA
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CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE
分子名称: 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ...
著者Sander, C.L, Palczewski, K, Kiser, P.D.
登録日2020-08-26
公開日2021-10-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
3LLN
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Comparison between the orthorhombic an tetragonal form of the heptamer sequence d(GCG(xT)GCG)/d(CGCACGC).
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*CP*GP*CP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*(XTR)P*GP*CP*G)-3')
著者Robeyns, K, Herdewijn, P, Van Meervelt, L.
登録日2010-01-29
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Comparison between the orthorhombic and tetragonal forms of the heptamer sequence d[GCG(xT)GCG]/d(CGCACGC)
Acta Crystallogr.,Sect.F, 66, 2010
6MJ6
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Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex
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, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019

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