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1ULF
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BU of 1ulf by Molmil
CGL2 in complex with Blood Group A tetrasaccharide
分子名称: alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2
著者Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
登録日2003-09-12
公開日2004-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
6WI2
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BU of 6wi2 by Molmil
Structure of human mitochondrial complex Nfs1-ISCU2-ISD11 with E.coli ACP1 at 1.95 A resolution (NIAU)2. N-terminal mutation of ISCU2 (L35) traps Nfs1 Cys loop in the active site of ISCU2 without metal present.
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Boniecki, M.T, Cygler, M.
登録日2020-04-08
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
8YXR
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BU of 8yxr by Molmil
Structure of Phosphoprotein Tetramer from mumps virus
分子名称: Phosphoprotein
著者Li, T.H, Shen, Q.T.
登録日2024-04-02
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
5VYZ
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BU of 5vyz by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Choi, P.H, Tong, L.
登録日2017-05-26
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VZ0
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BU of 5vz0 by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Choi, P.H, Tong, L.
登録日2017-05-26
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3E7K
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BU of 3e7k by Molmil
Crystal Structure of an antiparallel coiled-coil tetramerization domain from TRPM7 channels
分子名称: TRPM7 channel
著者Fujiwara, Y, Minor, D.L.
登録日2008-08-18
公開日2008-09-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献X-ray crystal structure of a TRPM assembly domain reveals an antiparallel four-stranded coiled-coil.
J.Mol.Biol., 383, 2008
6JY3
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BU of 6jy3 by Molmil
Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Oxidized State
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ...
著者Shinzawa-Itoh, K, Muramoto, K.
登録日2019-04-26
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Monomeric structure of an active form of bovine cytochromecoxidase.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ZKG
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BU of 6zkg by Molmil
Complex I with NADH, closed
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
4U8Y
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BU of 4u8y by Molmil
Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DODECYL-BETA-D-MALTOSIDE, ...
著者Pos, K.M.
登録日2014-08-05
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB.
Elife, 3, 2014
8DNJ
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BU of 8dnj by Molmil
Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76
分子名称: 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
7RAD
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BU of 7rad by Molmil
Crystal Structure Analysis of ALDH1B1
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ...
著者Fernandez, D, Chen, J.K.
登録日2021-07-01
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitors targeted to aldehyde dehydrogenase
Nat.Chem.Biol., 2022
6JST
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BU of 6jst by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99P/D266N double mutant with bound 3-oxo-C8-HSL
分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, FE (III) ION, HYDROXIDE ION, ...
著者Xue, B, Yew, W.S.
登録日2019-04-08
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
5K7H
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BU of 5k7h by Molmil
Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A
分子名称: CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ...
著者Bock, T, Volz, C, Mueller, R, Blankenfeldt, W.
登録日2016-05-26
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
6QC9
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BU of 6qc9 by Molmil
Ovine respiratory complex I FRC open class 4
分子名称: Acyl carrier protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-27
公開日2019-08-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6K5O
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BU of 6k5o by Molmil
Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists
分子名称: (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
著者Masuno, H, Kagechika, H, Ito, N.
登録日2019-05-29
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of novel lithocholic acid derivatives as vitamin D receptor agonists.
Bioorg.Med.Chem., 27, 2019
6JWA
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BU of 6jwa by Molmil
Crystal structure of CK2a1 with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-04-19
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1.
Acta Crystallogr.,Sect.F, 75, 2019
6QCA
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BU of 6qca by Molmil
Ovine respiratory complex I FRC open class 5
分子名称: Acyl carrier protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-27
公開日2019-08-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6QC3
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BU of 6qc3 by Molmil
Ovine respiratory supercomplex I+III2 open class 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-26
公開日2019-08-21
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6ZKI
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BU of 6zki by Molmil
Complex I with NADH, open2
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
7CMQ
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BU of 7cmq by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 88% RH.
分子名称: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T, Nishiya, Y.
登録日2020-07-28
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Flexibility of a Distal Interface Loop Modulates Water Network in the Active Site of Bacillus sp. TB-90 Urate Oxidase
To be published
6ZKH
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BU of 6zkh by Molmil
Complex I with NADH, open1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
6ZKV
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BU of 6zkv by Molmil
Deactive complex I, open4
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ...
著者Kampjut, D, Sazanov, L.A.
登録日2020-06-30
公開日2020-10-07
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
4U51
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BU of 4u51 by Molmil
Crystal structure of Narciclasine bound to the yeast 80S ribosome
分子名称: (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one, 18S ribosomal RNA, 25S ribosomal RNA, ...
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2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
6K6T
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BU of 6k6t by Molmil
Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-IMP bound form
分子名称: 9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one, CALCIUM ION, EAL domain protein
著者Yadav, M, Pal, K, Sen, U.
登録日2019-06-04
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-IMP bound form
To Be Published
6KJR
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BU of 6kjr by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.361 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020

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