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2WBM
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BU of 2wbm by Molmil
Crystal structure of mthSBDS, the homologue of the Shwachman-Bodian- Diamond syndrome protein in the euriarchaeon Methanothermobacter thermautotrophicus
分子名称: CHLORIDE ION, GLYCEROL, RIBOSOME MATURATION PROTEIN SDO1 HOMOLOG, ...
著者Ng, C.L, Isupov, M.N, Lebedev, A.A, Ortiz-Lombardia, M, Antson, A.A.
登録日2009-03-02
公開日2009-06-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Flexibility and Molecular Interactions of an Archaeal Homologue of the Shwachman-Bodian-Diamond Syndrome Protein.
Bmc Struct.Biol., 9, 2009
2WGR
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BU of 2wgr by Molmil
Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase
分子名称: GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2-
著者Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A.
登録日2009-04-24
公開日2009-09-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
6S56
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BU of 6s56 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide
分子名称: 1,2-ETHANEDIOL, 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide, ATPase family AAA domain-containing protein 2, ...
著者Chung, C.
登録日2019-06-30
公開日2019-08-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.
J.Med.Chem., 62, 2019
6LBH
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BU of 6lbh by Molmil
Cryo-EM structure of the MgtE Mg2+ channel under Mg2+-free conditions
分子名称: Fab heavy chain, Fab light chain, Magnesium transporter MgtE
著者Hattori, M, Jin, F.
登録日2019-11-14
公開日2021-04-14
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The structure of MgtE in the absence of magnesium provides new insights into channel gating.
Plos Biol., 19, 2021
6S4I
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BU of 6s4i by Molmil
Crystal structure of zinc free A14E, B25H, B29K(N(eps)-[2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]), desB30 human insulin
分子名称: Insulin, NITRATE ION
著者Johansson, E.
登録日2019-06-28
公開日2020-07-15
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Molecular engineering of safe and efficacious oral basal insulin.
Nat Commun, 11, 2020
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
著者Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
登録日2016-11-22
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5UC6
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BU of 5uc6 by Molmil
Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
著者Ren, X, Pyle, A.
登録日2016-12-21
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
5TTO
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BU of 5tto by Molmil
X-ray crystal structure of PPARgamma in complex with SR1643
分子名称: 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma
著者Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A.
登録日2016-11-04
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
7AD6
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BU of 7ad6 by Molmil
Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
著者Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2020-09-14
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
7AD7
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BU of 7ad7 by Molmil
Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2020-09-14
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
6SM8
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BU of 6sm8 by Molmil
Human jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1
著者Read, J.A, Steuber, H.
登録日2019-08-21
公開日2020-04-29
最終更新日2020-05-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor.
J.Med.Chem., 63, 2020
6R92
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BU of 6r92 by Molmil
Cryo-EM structure of NCP-THF2(+1)-UV-DDB class B
分子名称: DNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
6ZUI
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BU of 6zui by Molmil
Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid
分子名称: HTH-type transcriptional repressor NemR,Green fluorescent protein,Green fluorescent protein,HTH-type transcriptional repressor NemR
著者Tossounian, M.A, Van Molle, I, Messens, J.
登録日2020-07-23
公開日2021-06-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.200082 Å)
主引用文献Hypocrates is a genetically encoded fluorescent biosensor for (pseudo)hypohalous acids and their derivatives.
Nat Commun, 13, 2022
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
分子名称: Major strawberry allergen Fra a 1-2
著者Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
登録日2019-09-10
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6MIH
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BU of 6mih by Molmil
Crystal structure of host-guest complex with PC hachimoji DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3'), DNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase
著者Georgiadis, M.M.
登録日2018-09-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
6MIG
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BU of 6mig by Molmil
Crystal structure of host-guest complex with PB hachimoji DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), Gag-Pol polyprotein
著者Georgiadis, M.M.
登録日2018-09-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
6MIK
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BU of 6mik by Molmil
Crystal structure of host-guest complex with PP hachimoji DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase
著者Georgiadis, M.M.
登録日2018-09-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
6R8Z
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BU of 6r8z by Molmil
Cryo-EM structure of NCP_THF2(-1)-UV-DDB
分子名称: DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
5V1B
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BU of 5v1b by Molmil
Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
分子名称: 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ...
著者Skene, R.J.
登録日2017-03-01
公開日2017-06-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
6R94
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BU of 6r94 by Molmil
Cryo-EM structure of NCP_THF2(-3)
分子名称: Histone H2A type 1-B/E, Histone H2B type 1-J, Histone H3.1, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
6R91
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BU of 6r91 by Molmil
Cryo-EM structure of NCP_THF2(-3)-UV-DDB
分子名称: DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
著者Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
登録日2019-04-02
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
6MO5
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BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
分子名称: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
著者Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6RCO
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BU of 6rco by Molmil
PfRH5-binding monoclonal antibody R5.004
分子名称: ACETATE ION, GLYCEROL, R5.004 heavy chain, ...
著者Alanine, D.G.W, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
6RCU
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BU of 6rcu by Molmil
PfRH5 bound to monoclonal antibodies R5.004 and R5.016
分子名称: R5.004 heavy chain, R5.004 light chain, R5.016 heavy chain, ...
著者Alanine, D.W.G, Draper, S.J, Higgins, M.K.
登録日2019-04-11
公開日2019-06-26
最終更新日2019-08-21
実験手法X-RAY DIFFRACTION (4.005 Å)
主引用文献Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies.
Cell, 178, 2019
6MX6
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BU of 6mx6 by Molmil
The Prp8 intein of Cryptococcus neoformans
分子名称: Pre-mRNA-processing-splicing factor 8
著者Li, Z, Li, H.
登録日2018-10-30
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Spliceosomal Prp8 intein at the crossroads of protein and RNA splicing.
Plos Biol., 17, 2019

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