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7CQD
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BU of 7cqd by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA14 tag inserted between the residues 235 and 236
分子名称: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
著者Tamura-Sakaguchi, R, Aruga, R, Nogi, T.
登録日2020-08-10
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Moving toward generalizable NZ-1 labeling for 3D structure determination with optimized epitope-tag insertion.
Acta Crystallogr D Struct Biol, 77, 2021
6SAR
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BU of 6sar by Molmil
E coli BepA/YfgC
分子名称: Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION
著者Lovering, A.L, Cadby, I.T.
登録日2019-07-17
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA.
J.Bacteriol., 203, 2020
5GGG
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BU of 5ggg by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase form I
分子名称: Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
5OJ6
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BU of 5oj6 by Molmil
Crystal structure of the chicken MDGA1 ectodomain in complex with the human neuroligin 1 (NL1(-A-B)) cholinesterase domain.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-1, ...
著者Elegheert, J, Clayton, A.J, Aricescu, A.R.
登録日2017-07-20
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Mechanism for Modulation of Synaptic Neuroligin-Neurexin Signaling by MDGA Proteins.
Neuron, 95, 2017
4YKF
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BU of 4ykf by Molmil
Crystal Structure of the Alkylhydroperoxide Reductase subunit F (AhpF) with NADH from Escherichia coli
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alkyl hydroperoxide reductase subunit F, CADMIUM ION, ...
著者Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B.
登録日2015-03-04
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic and solution studies of NAD(+)- and NADH-bound alkylhydroperoxide reductase subunit F (AhpF) from Escherichia coli provide insight into sequential enzymatic steps
Biochim.Biophys.Acta, 1847, 2015
6KEB
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BU of 6keb by Molmil
Structure basis for Diltiazem block of a voltage-gated calcium channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Tang, L.
登録日2019-07-04
公開日2019-10-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis for Diltiazem Block of a Voltage-Gated Ca2+Channel.
Mol.Pharmacol., 96, 2019
6SMD
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BU of 6smd by Molmil
PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase
分子名称: Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-21
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
6HYN
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BU of 6hyn by Molmil
Structure of ATG13 LIR motif bound to GABARAP
分子名称: Autophagy-related protein 13,Gamma-aminobutyric acid receptor-associated protein
著者Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
登録日2018-10-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
5GL0
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BU of 5gl0 by Molmil
Structure of RyR1 in a closed state (C4 conformer)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A, Ryanodine receptor 1, ZINC ION
著者Bai, X.C, Yan, Z, Wu, J.P, Yan, N.
登録日2016-07-07
公開日2016-08-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The Central domain of RyR1 is the transducer for long-range allosteric gating of channel opening
Cell Res., 26, 2016
5GJW
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BU of 5gjw by Molmil
Structure of the mammalian voltage-gated calcium channel Cav1.1 complex for ClassII map
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, J.P, Yan, Z, Li, Z.Q, Zhou, Q, Yan, N.
登録日2016-07-02
公開日2016-09-14
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the voltage-gated calcium channel Cav1.1 at 3.6 angstrom resolution
Nature, 537, 2016
6SSV
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BU of 6ssv by Molmil
The structure of serpin from Schistosoma mansoni
分子名称: Serpin, putative
著者De Benedetti, S, Gourlay, L.
登録日2019-09-09
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structure, Immunoreactivity, and In Silico Epitope Determination of SmSPI S. mansoni Serpin for Immunodiagnostic Application.
Vaccines (Basel), 9, 2021
4YKI
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BU of 4yki by Molmil
Mnemiopsis leidyi ML032222a iGluR LBD glycine complex
分子名称: GLYCINE, MAGNESIUM ION, ML032222a iGluR, ...
著者Alberstein, R.G, Mayer, M.L.
登録日2015-03-04
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
Proc.Natl.Acad.Sci.USA, 112, 2015
6HEB
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BU of 6heb by Molmil
Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern).
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
登録日2018-08-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
5GLZ
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BU of 5glz by Molmil
Tl-gal with Glucose
分子名称: beta-D-glucopyranose, galectin
著者Jang, S.B, Hwang, E.Y.
登録日2016-07-12
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
6HEG
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BU of 6heg by Molmil
Crystal structure of Escherichia coli DEAH/RHA helicase HrpB
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpB, PHOSPHATE ION, ...
著者Xin, B.G, Chen, W.F, Rety, S, Dai, Y.X, Xi, X.G.
登録日2018-08-20
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.019 Å)
主引用文献Crystal structure of Escherichia coli DEAH/RHA helicase HrpB.
Biochem. Biophys. Res. Commun., 504, 2018
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6TUO
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BU of 6tuo by Molmil
Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
分子名称: 5'-D(*AP*TP*TP*GP*TP*AP*CP*GP*TP*AP*CP*AP*AP*TP)-3', BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Grazulis, S, Zaremba, M.
登録日2020-01-07
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
To be published
5OL0
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BU of 5ol0 by Molmil
Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide
分子名称: Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION
著者Ronin, C, Ciesielski, F, Ciapetti, P.
登録日2017-07-26
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
PLoS ONE, 13, 2018
6HFC
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BU of 6hfc by Molmil
Influenza A Virus N9 Neuraminidase Native (Tern).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ...
著者Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
登録日2018-08-21
公開日2018-08-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
5OLX
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BU of 5olx by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, orthorhomic crystal form
分子名称: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Bowler, M.W, von Velsen, J.
登録日2017-07-28
公開日2017-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5H2O
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BU of 5h2o by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 250 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
6HFY
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BU of 6hfy by Molmil
Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56).
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
登録日2018-08-22
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
5OHU
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BU of 5ohu by Molmil
The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa
分子名称: PHOSPHATE ION, Soluble lytic murein transglycosylase
著者Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
登録日2017-07-18
公開日2018-04-18
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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