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5HQB
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A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8
分子名称: Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ...
著者Li, J, He, C, Xiao, Y.
登録日2016-01-21
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
分子名称: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
著者Chen, Z, Gabelli, S.B.
登録日2016-10-03
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJQ
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Structure of WWP2 2,3-linker-HECT
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Chen, Z, Gabelli, S.B.
登録日2016-10-04
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5HQA
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BU of 5hqa by Molmil
A Glycoside Hydrolase Family 97 enzyme in complex with Acarbose from Pseudoalteromonas sp. strain K8
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, CALCIUM ION, ...
著者Li, J, He, C, Xiao, Y.
登録日2016-01-21
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
5VNP
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X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
分子名称: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
著者Dunham, N.P, Boal, A.K.
登録日2017-05-01
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
6LKO
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BU of 6lko by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
著者El Sahili, A, Lescar, J.
登録日2019-12-19
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
7DFV
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BU of 7dfv by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer core part
分子名称: NAD+ hydrolase (NADase)
著者Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
登録日2020-11-10
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
6B0R
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BU of 6b0r by Molmil
Zinc finger Domain of WT1(-KTS form) with M342R Mutation and 14+1mer Oligonucleotide with 3' Triplet TGG
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*GP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.818 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
8GOF
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BU of 8gof by Molmil
Structure of hSLC19A1+PMX
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-08-24
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
8GOE
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Structure of hSLC19A1+5-MTHF
分子名称: N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter
著者Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
登録日2022-08-24
公開日2022-10-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
4Y07
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BU of 4y07 by Molmil
Crystal structure of the HECT domain of human WWP2
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Gong, W, Li, J, Li, Z, Xu, Y.
登録日2015-02-05
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Structure of the HECT domain of human WWP2
Acta Crystallogr.,Sect.F, 71, 2015
6MOM
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BU of 6mom by Molmil
Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591)
分子名称: 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4
著者Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C.
登録日2018-10-04
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
7WEG
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BU of 7weg by Molmil
Complex structure of PDZD7 and FCHSD2
分子名称: FCHSD2, PDZ domain-containing protein 7, ZINC ION
著者Wang, H, Lin, L, Lu, Q.
登録日2021-12-23
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deafness-related protein PDZD7 forms complex with the C-terminal tail of FCHSD2.
Biochem.J., 479, 2022
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-11-11
公開日2018-01-03
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
7BEG
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BU of 7beg by Molmil
Structures of class I bacterial transcription complexes
分子名称: Class I pacrA promoter non-template DNA, Class I pacrA promoter template DNA, DNA-directed RNA polymerase subunit alpha, ...
著者Ye, F.Z, Hao, M, Zhang, X.D.
登録日2020-12-23
公開日2021-12-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of Class I and Class II Transcription Complexes Reveal the Molecular Basis of RamA-Dependent Transcription Activation.
Adv Sci, 9, 2022
8T8F
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BU of 8t8f by Molmil
Smc5/6 8mer
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ...
著者Yu, Y, Patel, D.J.
登録日2023-06-22
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T8E
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BU of 8t8e by Molmil
cryoEM structure of Smc5/6 5mer
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6
著者Yu, Y, Patel, D.J.
登録日2023-06-22
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
1U6Q
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BU of 1u6q by Molmil
Substituted 2-Naphthamadine inhibitors of Urokinase
分子名称: TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator
著者Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
6CIL
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BU of 6cil by Molmil
PRE-REACTION COMPLEX, RAG1(E962Q)/2-INTACT/INTACT 12/23RSS COMPLEX IN MN2+
分子名称: High mobility group protein B1, Intact 12RSS substrate forward strand, Intact 12RSS substrate reverse strand, ...
著者Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
登録日2018-02-24
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
1O3R
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BU of 1o3r by Molmil
PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES
分子名称: 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M.
登録日2003-03-18
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
8HTV
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BU of 8htv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a
分子名称: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase
著者Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2022-12-21
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
8E2U
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BU of 8e2u by Molmil
HMPV F monomer bound to RSV-199 Fab
分子名称: Fusion glycoprotein F0, RSV-199 heavy chain, RSV-199 light chain
著者Wen, X, Jardetzky, T.S.
登録日2022-08-16
公開日2023-08-16
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode.
Cell Host Microbe, 31, 2023
8EAY
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HMPV F complex with 4I3 Fab
分子名称: 4I3 heavy chain protein, 4I3 light chain protein, Fusion glycoprotein F0
著者Wen, X, Jardetzky, T.S.
登録日2022-08-30
公開日2023-08-16
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Potent cross-neutralization of respiratory syncytial virus and human metapneumovirus through a structurally conserved antibody recognition mode.
Cell Host Microbe, 31, 2023

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