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6OMG
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Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
分子名称: (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 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Dirk, M.Z, Bitra, A, Wang, J.
登録日2019-04-18
公開日2020-04-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
To Be Published
6ONM
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Crystal Structure of (+)-Limonene Synthase Complexed with 8,9-Difluorolinalyl Diphosphate
分子名称: (+)-limonene synthase, (3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate, MANGANESE (II) ION
著者Prem Kumar, R, Morehouse, B.R, Yu, Q, Oprian, D.D.
登録日2019-04-22
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Direct Evidence of an Enzyme-Generated LPP Intermediate in (+)-Limonene Synthase Using a Fluorinated GPP Substrate Analog.
Acs Chem.Biol., 14, 2019
6OQI
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CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
分子名称: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Murray, J.M.
登録日2019-04-26
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6ORG
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BU of 6org by Molmil
Crystal structure of SpGH29
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-30
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6OMK
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BU of 6omk by Molmil
Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA
分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-04-18
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a glycylpeptide N-tetradecanoyltransferase (N-myristoyl transferase, NMT) from Leishmania major Friedlin bound to tetradecanoyl-CoA
To Be Published
6OMQ
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Crystal structure of PtmU3 complexed with PTM substrate
分子名称: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
著者Liu, Y.C, Dong, L.B, Shen, B.
登録日2019-04-19
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6N9E
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
著者Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
登録日2018-12-03
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
6OQ1
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Crystal Structure of Branched K11/K48-Linked Tri-Ubiquitin
分子名称: Ubiquitin
著者Boughton, A.J, Fushman, D.
登録日2019-04-25
公開日2019-10-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Branching via K11 and K48 Bestows Ubiquitin Chains with a Unique Interdomain Interface and Enhanced Affinity for Proteasomal Subunit Rpn1.
Structure, 28, 2020
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
分子名称: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
著者Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
登録日2019-04-12
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
6OB2
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BU of 6ob2 by Molmil
Crystal structure of wild-type KRAS (GMPPNP-bound) in complex with GAP-related domain (GRD) of neurofibromin (NF1)
分子名称: CHLORIDE ION, GLYCEROL, GTPase KRas, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2019-03-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献KRAS G13D sensitivity to neurofibromin-mediated GTP hydrolysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
6OJP
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Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d
分子名称: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A.
登録日2019-04-11
公開日2019-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6OJW
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BU of 6ojw by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 holo-LsdA
分子名称: FE (III) ION, GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, ...
著者Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
登録日2019-04-12
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE2
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE3
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
分子名称: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE1
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.095 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QEN
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cryo-EM structure of apo Clostridioides difficile toxin B
分子名称: Toxin B, ZINC ION
著者Kinsolving, J, Bous, J, Structural Genomics Consortium (SGC)
登録日2023-09-01
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
8QDZ
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BU of 8qdz by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
6P3X
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BU of 6p3x by Molmil
Crystal Structure of Full Length APOBEC3G E/Q (pH 7.0)
分子名称: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ZINC ION
著者Yang, H.J, Li, S.X, Chen, X.S.
登録日2019-05-25
公開日2020-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Understanding the structural basis of HIV-1 restriction by the full length double-domain APOBEC3G.
Nat Commun, 11, 2020
4U5B
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BU of 4u5b by Molmil
Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-25
公開日2014-08-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5037 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U5F
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BU of 4u5f by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-24
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U6F
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Crystal structure of T-2 toxin bound to the yeast 80S ribosome
分子名称: 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate, 18S ribosomal RNA, 25S ribosomal RNA, ...
著者Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
登録日2014-07-28
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
4U1V
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BU of 4u1v by Molmil
Crystal structure of the E. coli ribosome bound to linopristin.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
登録日2014-07-16
公開日2014-07-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4U4Z
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Crystal structure of Phyllanthoside bound to the yeast 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
著者Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
登録日2014-07-24
公開日2014-10-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014

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