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3O9M
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Co-crystallization studies of full length recombinant BChE with cocaine offers insights into cocaine detoxification
分子名称: BENZOIC ACID, Cholinesterase
著者Asojo, O.A, Ngamelue, M.N, Homma, K, Lockridge, O.
登録日2010-08-04
公開日2011-04-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Cocrystallization studies of full-length recombinant butyrylcholinesterase (BChE) with cocaine.
Acta Crystallogr.,Sect.F, 67, 2011
4Y15
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SdiA in complex with 3-oxo-C6-homoserine lactone
分子名称: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide, SULFATE ION, Transcriptional regulator of ftsQAZ gene cluster
著者Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
登録日2015-02-06
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
分子名称: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y37
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Endothiapepsin in complex with fragement 305
分子名称: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
3NTP
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BU of 3ntp by Molmil
Human Pin1 complexed with reduced amide inhibitor
分子名称: (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, Y.
登録日2010-07-05
公開日2012-01-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
8CPP
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BU of 8cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
分子名称: CYTOCHROME P450CAM, PROTOPORPHYRIN IX CONTAINING FE, THIOCAMPHOR
著者Raag, R, Poulos, T.L.
登録日1990-05-18
公開日1991-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
4XLC
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BU of 4xlc by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3NZW
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Crystal structure of the yeast 20S proteasome in complex with 2b
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, Proteasome component C11, ...
著者Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M.
登録日2010-07-17
公開日2011-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
4XM2
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BU of 4xm2 by Molmil
N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the absence of cadmium
分子名称: Uncharacterized protein, ZINC ION
著者Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K.
登録日2015-01-14
公開日2015-06-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
8BYN
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BU of 8byn by Molmil
Chronic traumatic encephalopathy tau filaments with PET ligand flortaucipir
分子名称: 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole, Microtubule-associated protein tau
著者Shi, Y, Ghetti, B, Goedert, M, Scheres, S.H.W.
登録日2022-12-13
公開日2023-01-11
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cryo-EM Structures of Chronic Traumatic Encephalopathy Tau Filaments with PET Ligand Flortaucipir.
J.Mol.Biol., 435, 2023
8BYH
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BU of 8byh by Molmil
Crystal structure of TrmD domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Kluza, A, Lewandowska, I, Sulkowska, J.
登録日2022-12-12
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
4XMD
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BU of 4xmd by Molmil
Crystal structure of nitrophorin 7 from Rhodnius prolixus at pH 7.8
分子名称: Nitrophorin-7, PROTOPORPHYRIN IX CONTAINING FE
著者Ogata, H.
登録日2015-01-14
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of the membrane attaching nitric oxide transporter nitrophorin 7.
F1000Res, 4, 2015
8C77
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BU of 8c77 by Molmil
Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2023-01-12
公開日2023-01-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
8C5I
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BU of 8c5i by Molmil
Cyanide dihydratase from Bacillus pumilus C1 variant - Q86R,H305K,H308K,H323K
分子名称: Cyanide dihydratase
著者Mulelu, A.E, Reitz, J, van Rooyen, J, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T.
登録日2023-01-09
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
8C7K
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BU of 8c7k by Molmil
YdaS from E. coli O157:H7 cryptic prophage CP-933P
分子名称: Phage antirepressor protein Cro
著者Prolic-Kalinsek, M, Volkov, A.N, Loris, R.
登録日2023-01-16
公開日2023-01-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
4XB8
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BU of 4xb8 by Molmil
Crystal structure of Dscam1 isoform 9.44, N-terminal four Ig domains (with zinc)
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, Down Syndrome Cell Adhesion Molecule, ...
著者Chen, Q, Yu, Y, Li, S.A, cheng, L.
登録日2014-12-16
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
8C9M
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HERV-K Gag immature lattice
分子名称: Gag protein
著者Krebs, A.-S, Liu, H.-F, Zhou, Y, Rey, J.S, Levintov, L, Perilla, J.R, Bartesaghi, A, Zhang, P.
登録日2023-01-23
公開日2023-02-01
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular architecture and conservation of an immature human endogenous retrovirus.
Biorxiv, 2023
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.234 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBW
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R2-like ligand-binding oxidase with aerobically reconstituted dimanganese cofactor
分子名称: MANGANESE (II) ION, PALMITIC ACID, Ribonucleotide reductase small subunit
著者Griese, J.J, Hogbom, M.
登録日2014-12-17
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
8C6D
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BU of 8c6d by Molmil
Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
分子名称: (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, Genome polyprotein, Genome polyprotein (Fragment)
著者Kingston, N.J, Snowden, J.S, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M.
登録日2023-01-11
公開日2023-02-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
Biorxiv, 2023
6SJJ
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A new modulated crystal structure of ANS complex of St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-ANILINO-1-NAPHTHALENE SULFONATE, CITRATE ANION, ...
著者Smietanska, J, Sliwiak, J, Gilski, M, Dauter, Z, Strzalka, R, Wolny, J, Jaskolski, M.
登録日2019-08-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell.
Acta Crystallogr D Struct Biol, 76, 2020
8BXA
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BU of 8bxa by Molmil
Crystal structure of ribosome binding factor A (RbfA) from S. aureus
分子名称: Ribosome-binding factor A
著者Fatkhullin, B, Bikmullin, A, Gabdulkhakov, A, Khusainov, I, Validov, S, Usachev, K, Yusupov, M.
登録日2022-12-08
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus.
Int J Mol Sci, 24, 2023
6SKP
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OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, SODIUM ION, ...
著者Leiros, H.-K.S.
登録日2019-08-16
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
8C7E
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Serendipitous cyanase structure from Serratia-like contamination
分子名称: CHLORIDE ION, Cyanate hydratase
著者Bloch, Y, Skladanowska, K, Savvides, S.N.
登録日2023-01-14
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Serendipitous cyanase structure from Serratia-like contamination.
To Be Published

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件を2024-09-18に公開中

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