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7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
1UP7
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BU of 1up7 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-11-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
8ZUF
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BU of 8zuf by Molmil
Cryo-EM structure of P.nat ACE2 mutant in complex with MOW15-22 RBD
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, Angiotensin-converting enzyme, ...
著者Tang, J, Deng, Z.
登録日2024-06-09
公開日2025-02-12
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Multiple independent acquisitions of ACE2 usage in MERS-related coronaviruses.
Cell, 188, 2025
1UP4
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BU of 1up4 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.85 Angstrom resolution in the monoclinic form
分子名称: 6-PHOSPHO-BETA-GLUCOSIDASE
著者Varrot, A, Yip, V, Withers, S.G, Davies, G.J.
登録日2003-09-26
公開日2004-11-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides
J.Mol.Biol., 346, 2005
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
分子名称: Malate dehydrogenase, SILVER ION
著者Wang, H, Wang, M, Sun, H.
登録日2020-07-01
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.548 Å)
主引用文献Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
3GZN
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BU of 3gzn by Molmil
Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924
分子名称: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
著者Sintchak, M.D.
登録日2009-04-07
公開日2010-02-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ.
Mol.Cell, 37, 2010
3H4N
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BU of 3h4n by Molmil
PpcD, A cytochrome c7 from Geobacter sulfurreducens
分子名称: Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE
著者Pokkuluri, P.R, Schiffer, M.
登録日2009-04-20
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens.
Biochim.Biophys.Acta, 1797, 2010
1UP6
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BU of 1up6 by Molmil
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate
分子名称: 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ...
著者Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J.
登録日2003-09-29
公開日2004-08-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima.
J.Am.Chem.Soc., 126, 2004
3H33
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BU of 3h33 by Molmil
PpcC, A cytochrome c7 from Geobacter sulfurreducens
分子名称: Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Pokkuluri, P.R, Schiffer, M.
登録日2009-04-15
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens.
Biochim.Biophys.Acta, 1797, 2010
3H34
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BU of 3h34 by Molmil
PpcE, A cytochrome c7 from Geobacter sulfurreducens
分子名称: Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE
著者Pokkuluri, P.R, Schiffer, M.
登録日2009-04-15
公開日2009-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens.
Biochim.Biophys.Acta, 1797, 2010
7FAS
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BU of 7fas by Molmil
VAR2CSA 3D7 ectodomain core region
分子名称: Erythrocyte membrane protein 1, PfEMP1
著者Wang, L, Zhaoning, W.
登録日2021-07-07
公開日2021-11-17
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
8JKE
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BU of 8jke by Molmil
AfsR(T337A) transcription activation complex
分子名称: DNA(65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wang, Y, Zheng, J.
登録日2023-06-01
公開日2024-02-14
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural and functional characterization of AfsR, an SARP family transcriptional activator of antibiotic biosynthesis in Streptomyces.
Plos Biol., 22, 2024
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
分子名称: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DUD
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BU of 6dud by Molmil
JAK3 with cyanamide CP12
分子名称: N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-06-20
公開日2018-11-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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BU of 6db4 by Molmil
JAK3 with Cyanamide CP34
分子名称: N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-02
公開日2018-11-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6BJ2
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BU of 6bj2 by Molmil
TCR589 in complex with HIV(Pol448-456)/HLA-B35
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, Beta-2-microglobulin, ...
著者Jude, K.M, Sibener, L.V, Garcia, K.C.
登録日2017-11-03
公開日2018-07-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
6DA4
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BU of 6da4 by Molmil
JAK3 with Cyanamide CP10
分子名称: (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2018-05-01
公開日2018-11-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
5U3B
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BU of 5u3b by Molmil
Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Sprague, E.R.
登録日2016-12-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
分子名称: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2016-12-29
公開日2017-02-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
5XKN
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BU of 5xkn by Molmil
Crystal structure of plant receptor ERL2 in complexe with EPFL4
分子名称: EPIDERMAL PATTERNING FACTOR-like protein 4, LRR receptor-like serine/threonine-protein kinase ERL2
著者Chai, J, Lin, G.
登録日2017-05-08
公開日2019-01-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.651 Å)
主引用文献A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
7BW6
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BU of 7bw6 by Molmil
Varicella-zoster virus capsid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q.
登録日2020-04-13
公開日2020-09-23
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the varicella-zoster virus A-capsid.
Nat Commun, 11, 2020
2JM5
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BU of 2jm5 by Molmil
Solution Structure of the RGS domain from human RGS18
分子名称: Regulator of G-protein signaling 18
著者Higman, V.A, Leidert, M, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G, Yang, X, Brockmann, C, Schmieder, P, Diehl, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2006-10-11
公開日2006-10-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2JNU
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BU of 2jnu by Molmil
Solution structure of the RGS domain of human RGS14
分子名称: Regulator of G-protein signaling 14
著者Dowler, E.F, Diehl, A, Bray, J, Elkins, J, Soundararajan, M, Doyle, D.A, Gileadi, C, Phillips, C, Schoch, G.A, Yang, X, Brockmann, C, Leidert, M, Rehbein, K, Schmieder, P, Kuhne, R, Higman, V.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Oschkinat, H, Ball, L.J, Structural Genomics Consortium (SGC)
登録日2007-02-02
公開日2007-02-27
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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

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件を2025-07-09に公開中

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