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6CDN
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BU of 6cdn by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
著者Liu, A, Li, J, Shin, I.
登録日2018-02-08
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
8JP1
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BU of 8jp1 by Molmil
Crystal structure of AKR1C3 in complex with DFV
分子名称: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P.
登録日2023-06-10
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
8D8W
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BU of 8d8w by Molmil
Crystal structure of ChoE with Ser38 adopting alternative conformations
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ChoE, IODIDE ION
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
8D8Y
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BU of 8d8y by Molmil
Crystal structure of ChoE N147A mutant in complex with acetylthiocholine
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETYLTHIOCHOLINE, CHLORIDE ION, ...
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
6CQ6
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BU of 6cq6 by Molmil
K2P2.1(TREK-1) apo structure
分子名称: CADMIUM ION, DECANE, POTASSIUM ION, ...
著者Lolicato, M, Minor, D.L.
登録日2018-03-14
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site.
Nature, 547, 2017
5MYB
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BU of 5myb by Molmil
Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21
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, Angiopoietin-1 receptor, ...
著者Leppanen, V.-M, Saharinen, P, Alitalo, K.
登録日2017-01-26
公開日2017-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4QY9
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BU of 4qy9 by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Russo Krauss, I, Merlino, A.
登録日2014-07-24
公開日2014-11-05
最終更新日2014-11-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
4QYE
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BU of 4qye by Molmil
CHK1 kinase domain in complex with diarylpyrazine compound 1
分子名称: 4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1
著者Appleton, B, Wu, P.
登録日2014-07-24
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1.
Bioorg.Med.Chem.Lett., 24, 2014
8D90
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BU of 8d90 by Molmil
Crystal structure of ChoE N147A mutant in complex with bromide ions
分子名称: BROMIDE ION, ChoE, GLYCEROL
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
5MH6
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BU of 5mh6 by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
分子名称: 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-06-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
5M8E
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BU of 5m8e by Molmil
Crystal structure of a GH43 arabonofuranosidase from Weissella sp. strain 142
分子名称: Alpha-N-arabinofuranosidase, CALCIUM ION, GLYCEROL, ...
著者Linares-Pasten, J, Logan, D.T, Nordberg Karlsson, E.
登録日2016-10-28
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures and functional studies of two GH43 arabinofuranosidases from Weissella sp. strain 142 and Lactobacillus brevis.
FEBS J., 284, 2017
8J86
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BU of 8j86 by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form
分子名称: CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*CP*TP*TP*AP*AP*TP*CP*TP*CP*AP*CP*AP*TP*AP*GP*CP*AP*GP*CP*TP*)-3'), ...
著者Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C.
登録日2023-04-30
公開日2024-05-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir.
Int.J.Biol.Macromol., 270, 2024
8G95
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BU of 8g95 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, Dimodular nonribosomal peptide synthase
著者Patel, K.D, Gulick, A.M.
登録日2023-02-21
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
6CSJ
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BU of 6csj by Molmil
Structure of a Bacillus coagulans polyol dehydrogenase double mutant with an acquired D-lactate dehydrogenase activity
分子名称: Glycerol dehydrogenase
著者Hurlbert, J.C, St.John, F.J.
登録日2018-03-20
公開日2019-07-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Kinetic characterization and structure analysis of an altered polyol dehydrogenase with d-lactate dehydrogenase activity.
Protein Sci., 29, 2020
8D8X
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BU of 8d8x by Molmil
Crystal structure of ChoE in complex with acetate and thiocholine (crystal form 2)
分子名称: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, ACETATE ION, CHLORIDE ION, ...
著者Pham, V.D, Shi, R.
登録日2022-06-09
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures of bacterial acetylcholinesterase ChoE provide insights into the plasticity of catalytic Ser in regulating the active site geometry and the functional state of the SGNH hydrolases
To be published
4ITC
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BU of 4itc by Molmil
Crystal Structure Analysis of the K1 Cleaved Adhesin domain of Lys-gingipain (Kgp) from Porphyromonas gingivalis W83
分子名称: CALCIUM ION, GLYCEROL, GUANIDINE, ...
著者Ganuelas, L.A, Li, N, Hunter, N, Collyer, C.A.
登録日2013-01-18
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The lysine gingipain adhesin domains from Porphyromonas gingivalis interact with erythrocytes and albumin: Structures correlate to function.
Eur J Microbiol Immunol (Bp), 3, 2013
8AXK
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BU of 8axk by Molmil
Type 3 secretion system export apparatus core, inner rod and needle of Shigella flexneri
分子名称: Lipoprotein MxiJ, Outer membrane protein MxiD, Protein MxiH, ...
著者Lunelli, M.
登録日2022-08-31
公開日2023-03-01
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Integrative structural analysis of the type III secretion system needle complex from Shigella flexneri.
Protein Sci., 32, 2023
8G98
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BU of 8g98 by Molmil
Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Lysine bound)
分子名称: Dimodular nonribosomal peptide synthase, GLYCEROL, LYSINE
著者Patel, K.D, Gulick, A.M.
登録日2023-02-21
公開日2023-10-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural and functional insights into delta-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii.
Commun Biol, 6, 2023
8AJJ
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BU of 8ajj by Molmil
Crystal structure of the disulfide reductase MerA from Staphylococcus aureus
分子名称: Dihydrolipoamide dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, HISTIDINE
著者Weiland, P, Altegoer, F, Bange, G.
登録日2022-07-28
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
5MCM
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BU of 5mcm by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 20.6 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-10
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
5U8X
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BU of 5u8x by Molmil
Crystal structure of Fe-CAO1
分子名称: BENZOIC ACID, CHLORIDE ION, Carotenoid oxygenase 1, ...
著者Sui, X, Palczewski, K, Banerjee, S, Kiser, P.D.
登録日2016-12-15
公開日2017-05-31
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.165 Å)
主引用文献Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
Biochemistry, 56, 2017
4QTZ
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BU of 4qtz by Molmil
Crystal Structure of Cinnamyl-Alcohol Dehydrogenase 2
分子名称: Dihydroflavonol-4-reductase
著者Pan, H, Wang, X.
登録日2014-07-10
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
1A14
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BU of 1a14 by Molmil
COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 5 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NC10 FV (HEAVY CHAIN), ...
著者Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M.
登録日1997-12-21
公開日1998-05-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
3WTO
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BU of 3wto by Molmil
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Desnitro-imidacloprid
分子名称: (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine, Acetylcholine-binding protein
著者Okajima, T, Ihara, M, Yamashita, A, Oda, T, Matsuda, K.
登録日2014-04-11
公開日2015-02-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Studies on an acetylcholine binding protein identify a basic residue in loop G on the beta 1 strand as a new structural determinant of neonicotinoid actions
Mol.Pharmacol., 86, 2014

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