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6VLS
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BU of 6vls by Molmil
Structure of C-terminal fragment of Vip3A toxin
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein,Vip3Aa
著者Jiang, K, Zhang, Y, Chen, Z, Gao, X.
登録日2020-01-25
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and Functional Insights into the C-terminal Fragment of Insecticidal Vip3A Toxin ofBacillus thuringiensis.
Toxins, 12, 2020
5C71
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BU of 5c71 by Molmil
The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide
分子名称: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Glucuronidase, alpha-D-glucopyranuronic acid
著者Sun, H.L, Lv, B, Huang, S, Li, C, Jiang, T.
登録日2015-06-24
公開日2016-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins.
J.Biol.Chem., 293, 2018
3B4Y
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BU of 3b4y by Molmil
FGD1 (Rv0407) from Mycobacterium tuberculosis
分子名称: CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1
著者Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2007-10-25
公開日2008-04-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
8HAV
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BU of 8hav by Molmil
An auto-activation mechanism of plant non-specific phospholipase C
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-specific phospholipase C4
著者Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P.
登録日2022-10-26
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
8HJ9
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BU of 8hj9 by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-22
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HOW
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BU of 8how by Molmil
Crystal structure of AtHPPD-Y191052 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, G.-F, Lin, H.-Y, Dong, J.
登録日2022-12-11
公開日2023-01-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
8HJ3
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BU of 8hj3 by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-22
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
6CVY
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BU of 6cvy by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-21 (MK-5172 linear analogue)
分子名称: 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-03-29
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
8HHO
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BU of 8hho by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-16
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HIQ
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BU of 8hiq by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-21
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
5CB5
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BU of 5cb5 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
分子名称: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ...
著者Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
登録日2015-06-30
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
4WZJ
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BU of 4wzj by Molmil
Spliceosomal U4 snRNP core domain
分子名称: Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, Small nuclear ribonucleoprotein G, ...
著者Leung, A.K.W, Nagai, K, Li, J.
登録日2014-11-19
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of the spliceosomal U4 snRNP core domain and its implication for snRNP biogenesis.
Nature, 473, 2011
8HIZ
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BU of 8hiz by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
分子名称: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
登録日2022-11-22
公開日2023-02-08
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
6W70
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BU of 6w70 by Molmil
Crystal Structure of apixaban-bound ABLE
分子名称: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, ACETATE ION, De novo designed ABLE, ...
著者Polizzi, N.F.
登録日2020-03-18
公開日2020-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.296 Å)
主引用文献A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
4X6A
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BU of 4x6a by Molmil
Crystal structure of yeast RNA polymerase II encountering oxidative Cyclopurine DNA lesions
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Wang, L, Chong, J, Wang, D.
登録日2014-12-07
公開日2015-02-04
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Mechanism of RNA polymerase II bypass of oxidative cyclopurine DNA lesions.
Proc.Natl.Acad.Sci.USA, 112, 2015
1G8Q
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BU of 1g8q by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 EXTRACELLULAR DOMAIN, A RECEPTOR FOR HEPATITIS C VIRUS
分子名称: CD81 ANTIGEN, EXTRACELLULAR DOMAIN
著者Kitadokoro, K, Bolognesi, M, Bordo, D, Grandi, G, Galli, G, Petracca, R, Falugi, F.
登録日2000-11-20
公開日2001-02-21
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CD81 extracellular domain 3D structure: insight into the tetraspanin superfamily structural motifs.
EMBO J., 20, 2001
5CGD
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BU of 5cgd by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)
分子名称: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
5CGC
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BU of 5cgc by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
2EQ5
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BU of 2eq5 by Molmil
Crystal structure of hydantoin racemase from Pyrococcus horikoshii OT3
分子名称: 228aa long hypothetical hydantoin racemase
著者Mizutani, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-30
公開日2007-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of hydantoin racemase from Pyrococcus horikoshii OT3
To be Published
5CHO
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BU of 5cho by Molmil
Crystal Structure of BorF, the Flavin Reductase Component of a Bacterial Two-Component Tryptophan Halogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin reductase
著者Ma, Z, Bellizzi, J.
登録日2015-07-10
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal Structure of BorF, the Flavin Reductase Component of a Bacterial Two-Component Tryptophan Halogenase
To be published
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
分子名称: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
著者Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
登録日2022-10-25
公開日2023-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
6CCN
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BU of 6ccn by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide
分子名称: (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
5CLD
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BU of 5cld by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an oxocarbenium-intermediate analog and a free 3-methyladenine nucleobase
分子名称: 3-METHYL-3H-PURIN-6-YLAMINE, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2015-07-16
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5CLA
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BU of 5cla by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 360 hours)
分子名称: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2015-07-16
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
1YQK
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BU of 1yqk by Molmil
Human 8-oxoguanine glycosylase crosslinked with guanine containing DNA
分子名称: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*G)-3', 5'-D(P*CP*AP*GP*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-01
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005

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