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1QJU
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BU of 1qju by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP61209
分子名称: 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ...
著者Hadfield, A.T, Minor, I, Diana, G.D, Rossmann, M.G.
登録日1999-07-05
公開日1999-07-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
1QJY
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BU of 1qjy by Molmil
HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP65099
分子名称: 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ...
著者Hadfield, A.T, Diana, G.D, Rossmann, M.G.
登録日1999-07-06
公開日1999-07-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
5MFA
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BU of 5mfa by Molmil
Crystal structure of human promyeloperoxidase (proMPO)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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Grishkovskaya, I, Furtmueller, P.G, Obinger, C, Djinovic-Carugo, K.
登録日2016-11-17
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of human promyeloperoxidase (proMPO) and the role of the propeptide in processing and maturation.
J. Biol. Chem., 292, 2017
5ZRT
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BU of 5zrt by Molmil
Crystal structure of human C1ORF123 protein
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
著者Rahaman, S.N.A, Yusop, J.M, Mohamed-Hussein, Z.A, Wan Mohd, A, Ho, K.L, Teh, A.H, Waterman, J, Ng, C.L.
登録日2018-04-25
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and functional analysis of human C1ORF123.
Peerj, 6, 2018
6AC3
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BU of 6ac3 by Molmil
Structure of a natural red emitting luciferase from Phrixothrix hirtus (P3121 crystal form)
分子名称: Red-bioluminescence eliciting luciferase
著者Carrasco-Lopez, C, Panjikar, S, Naumov, P, Rabeh, W.
登録日2018-07-24
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Beetle luciferases with naturally red- and blue-shifted emission.
Life Sci Alliance, 1, 2018
8DEW
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BU of 8dew by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with LL-37 complex
分子名称: Antibacterial peptide LL-37, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
著者Lyu, M, Yu, E.W.
登録日2022-06-21
公開日2022-09-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
6AAA
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BU of 6aaa by Molmil
Structure of a blue-shifted Luciferase from Amydetes vivianii
分子名称: Blue-shifted Luciferase, GLYCEROL
著者Carrasco-Lopez, C, Naumov, P, Rabeh, W.
登録日2018-07-18
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Beetle luciferases with naturally red- and blue-shifted emission.
Life Sci Alliance, 1, 2018
8DEV
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BU of 8dev by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with colistin complex
分子名称: Colistin, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
著者Lyu, M, Yu, E.W.
登録日2022-06-21
公開日2022-09-14
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
8CX4
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BU of 8cx4 by Molmil
TCR-antigen complex AS8.4-YEIH-HLA*B27
分子名称: AS8.4a, AS8.4b, Beta-2-microglobulin, ...
著者Yang, X, Jude, K.M, Garcia, K.C.
登録日2022-05-19
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides.
Nature, 612, 2022
8DEU
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BU of 8deu by Molmil
Cryo-electron microscopy structure of Neisseria gonorrhoeae multidrug efflux pump MtrD with CASP peptide complex
分子名称: CASP peptide, Efflux pump membrane transporter, PHOSPHATIDYLETHANOLAMINE
著者Lyu, M, Yu, E.W.
登録日2022-06-21
公開日2022-09-14
最終更新日2022-11-09
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural Basis of Peptide-Based Antimicrobial Inhibition of a Resistance-Nodulation-Cell Division Multidrug Efflux Pump.
Microbiol Spectr, 10, 2022
8EZD
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BU of 8ezd by Molmil
Brain-derived 42-residue amyloid-beta fibril type A
分子名称: Beta-amyloid protein 42
著者Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
登録日2022-10-31
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EZE
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BU of 8eze by Molmil
Brain-derived 42-residue amyloid-beta fibril type B
分子名称: Beta-amyloid protein 42
著者Tycko, R, Lee, M, Yau, Y.-M, Louis, J.M.
登録日2022-10-31
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structures of brain-derived 42-residue amyloid-beta fibril polymorphs with unusual molecular conformations and intermolecular interactions.
Proc.Natl.Acad.Sci.USA, 120, 2023
6W1G
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BU of 6w1g by Molmil
Crystal structure of the hydroxyglutarate synthase from Pseudomonas putida
分子名称: Hydroxyglutarate synthase, NICKEL (II) ION
著者Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
登録日2020-03-04
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
4KQY
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BU of 4kqy by Molmil
Bacillus subtilis yitJ S box/SAM-I riboswitch
分子名称: MAGNESIUM ION, S-ADENOSYLMETHIONINE, YitJ S box/SAM-I riboswitch
著者Lu, C.
登録日2013-05-15
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献SAM recognition and conformational switching mechanism in the Bacillus subtilis yitJ S box/SAM-I riboswitch
J.Mol.Biol., 404, 2010
4KR6
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BU of 4kr6 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex
分子名称: MERCURY (II) ION, Probable tRNA sulfurtransferase, RNA (39-MER)
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4KR7
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BU of 4kr7 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex with bound ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable tRNA sulfurtransferase, ...
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.421 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
4KR9
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BU of 4kr9 by Molmil
Crystal structure of a 4-thiouridine synthetase - RNA complex at 3.5 Angstrom resolution
分子名称: Probable tRNA sulfurtransferase, RNA (39-MER)
著者Neumann, P, Ficner, R, Lakomek, K.
登録日2013-05-16
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
1YOB
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BU of 1yob by Molmil
C69A Flavodoxin II from Azotobacter vinelandii
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin 2, SULFATE ION
著者Alagaratnam, S, van Pouderoyen, G, Pijning, T, Dijkstra, B.W, Cavazzini, D, Rossi, G.L, Canters, G.W.
登録日2005-01-27
公開日2005-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A crystallographic study of Cys69Ala flavodoxin II from Azotobacter vinelandii: structural determinants of redox potential
Protein Sci., 14, 2005
5NR8
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BU of 5nr8 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a
分子名称: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL
著者Podjarny, A, Fadel, F, Golebiowski, A.
登録日2017-04-22
公開日2018-02-21
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
5O5E
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BU of 5o5e by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with tunicamycin
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
著者Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2017-06-01
公開日2018-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
2AZ5
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BU of 2az5 by Molmil
Crystal Structure of TNF-alpha with a small molecule inhibitor
分子名称: 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]-4H-CHROMEN-4-ONE, Tumor necrosis factor (TNF-alpha) (Tumor necrosis factor ligand superfamily member 2) (TNF-a) (Cachectin) [Contains: Tumor necrosis factor, membrane form; Tumor necrosis factor, ...
著者He, M.M.
登録日2005-09-09
公開日2005-11-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small-molecule inhibition of TNF-alpha.
Science, 310, 2005
1IJJ
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BU of 1ijj by Molmil
THE X-RAY CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN RABBIT SKELETAL MUSCLE ACTIN AND LATRUNCULIN A AT 2.85 A RESOLUTION
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Vorobiev, S.M, Bubb, M.R, Almo, S.C.
登録日2001-04-26
公開日2002-04-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Polylysine induces an antiparallel actin dimer that nucleates filament assembly: crystal structure at 3.5-A resolution
J.Biol.Chem., 277, 2002
5W77
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BU of 5w77 by Molmil
Solution structure of the MYC G-quadruplex bound to small molecule DC-34
分子名称: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
著者Chen, X, Walters, K.J.
登録日2017-06-19
公開日2018-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
分子名称: Sorting nexin-25
著者Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
登録日2017-08-01
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
1D70
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BU of 1d70 by Molmil
SOLUTION STRUCTURE OF A DNA OCTAMER CONTAINING THE PRIBNOW BOX VIA RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE CONSTRAINTS DERIVED FROM TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTRAL FITTING
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*TP*AP*AP*TP*G)-3')
著者Schmitz, U, James, T.L.
登録日1992-04-15
公開日1993-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a DNA octamer containing the Pribnow box via restrained molecular dynamics simulation with distance and torsion angle constraints derived from two-dimensional nuclear magnetic resonance spectral fitting.
J.Mol.Biol., 227, 1992

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