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4QGZ
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BU of 4qgz by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II)
分子名称: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
著者Russo Krauss, I, Merlino, A.
登録日2014-05-26
公開日2014-07-30
最終更新日2014-08-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
6ARJ
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BU of 6arj by Molmil
Crystal structure of CARM1 with EPZ022302 and SAH
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2017-08-22
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
1NDA
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BU of 1nda by Molmil
THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE
著者Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L.
登録日1993-07-02
公開日1994-09-30
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
6B0F
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BU of 6b0f by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH LSZ102
分子名称: Estrogen receptor, GLYCEROL, LSZ102
著者Kirby, C.A, Baird, J.
登録日2017-09-14
公開日2018-04-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of LSZ102, a Potent, Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen Receptor Positive Breast Cancer.
J. Med. Chem., 61, 2018
8CYE
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BU of 8cye by Molmil
Cryo-EM asymmetric reconstruction of the EPEC H6 bacterial flagellar filament Normal Waveform
分子名称: Flagellin
著者Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
登録日2022-05-23
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
8CWM
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BU of 8cwm by Molmil
Cryo-EM structure of the supercoiled S. islandicus REY15A archaeal flagellar filament
分子名称: Flagellin
著者Kreutzberger, M.A.B, Liu, J, Krupovic, M, Egelman, E.H.
登録日2022-05-19
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
8CXM
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BU of 8cxm by Molmil
Cryo-EM structure of the supercoiled E. coli K12 flagellar filament core, Normal waveform
分子名称: Flagellin
著者Sonani, R.R, Kreutzberger, M.A.B, Sebastian, A.L, Scharf, B, Egelman, E.H.
登録日2022-05-21
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
8CVI
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BU of 8cvi by Molmil
Cryo-EM structure of the supercoiled EPEC H6 flagellar filament core Curly I waveform
分子名称: Flagellin
著者Kreutzberger, M.A, Chatterjee, S, Frankel, G, Egelman, E.H.
登録日2022-05-18
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
7B5K
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BU of 7b5k by Molmil
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.
分子名称: 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ...
著者Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z.
登録日2020-12-03
公開日2021-05-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
3IOP
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BU of 3iop by Molmil
PDK-1 in complex with the inhibitor Compound-8i
分子名称: 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
6ARV
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BU of 6arv by Molmil
Crystal structure of CARM1 with Compound 2 and SAH
分子名称: (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2017-08-23
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
3ION
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BU of 3ion by Molmil
PDK1 in complex with Compound 8h
分子名称: 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
著者Olland, A.M.
登録日2009-08-14
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45, 2010
6V4V
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BU of 6v4v by Molmil
The crystal structure of BonA from Acinetobacter baumannii
分子名称: BON domain protein, ZINC ION
著者Grinter, R.
登録日2019-12-02
公開日2021-06-02
最終更新日2021-08-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献BonA from Acinetobacter baumannii Forms a Divisome-Localized Decamer That Supports Outer Envelope Function.
Mbio, 2021
6VIT
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BU of 6vit by Molmil
The Crystal Structure of Apo Domain-Swapped dimer Q108K:T51D:I32C Variant of HCRBPII with an Engineered Disulfide Bond
分子名称: Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2020-01-13
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
5LYE
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BU of 5lye by Molmil
Re-refined structure of the bacteriophage T4 short tail fibre PDB entry 1H6W containing 71 additionally identified residues
分子名称: CHLORIDE ION, Gp12, SULFATE ION
著者van Raaij, M.J, Taylor, N.M.I, Leiman, P.G.
登録日2016-09-27
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contractile injection systems of bacteriophages and related systems.
Mol. Microbiol., 108, 2018
1B9Q
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BU of 1b9q by Molmil
NMR STRUCTURE OF HEPARIN BINDING SITE OF NON COLLAGENOUS DOMAIN I (NC1) OF COLLAGEN FACIT XIV
分子名称: PROTEIN (COLLAGEN ALPHA 1)
著者Montserret, R, Deleage, G, Penin, F.
登録日1999-02-15
公開日1999-02-25
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural analysis of the heparin-binding site of the NC1 domain of collagen XIV by CD and NMR.
Biochemistry, 38, 1999
2D25
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BU of 2d25 by Molmil
C-C-A-G-G-C-M5C-T-G-G; HELICAL FINE STRUCTURE, HYDRATION, AND COMPARISON WITH C-C-A-G-G-C-C-T-G-G
分子名称: DNA (5'-D(*CP*CP*AP*GP*GP*CP*(5CM)P*TP*GP*G)-3'), MAGNESIUM ION
著者Heinemann, U, Hahn, M.
登録日1991-04-23
公開日1991-04-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献C-C-A-G-G-C-m5C-T-G-G. Helical fine structure, hydration, and comparison with C-C-A-G-G-C-C-T-G-G.
J.Biol.Chem., 267, 1992
6E5S
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BU of 6e5s by Molmil
Crystal structure of holo retinal-bound domain-swapped dimer Q108K:T51D mutant of human Cellular Retinol Binding Protein II
分子名称: RETINAL, Retinol-binding protein 2
著者Nosrati, M, Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6BWG
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BU of 6bwg by Molmil
Crystal structure of native Rv2983 from Mycobacterium tuberculosis
分子名称: 2-phospho-L-lactate guanylyltransferase
著者Bashiri, G, Jirgis, E.N.M, Baker, E.N.
登録日2017-12-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
7RWI
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BU of 7rwi by Molmil
Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198
分子名称: (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Molodtsov, V, Ebright, R.H.
登録日2021-08-19
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
8VTT
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BU of 8vtt by Molmil
Meis1 homeobox domain bound to neomycin fragment
分子名称: Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A.
登録日2024-01-27
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
8VTS
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BU of 8vts by Molmil
Meis1 homeobox domain bound to paromomycin fragment
分子名称: 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ...
著者Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N.
登録日2024-01-27
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals
to be published
4QH3
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BU of 4qh3 by Molmil
X-ray structure of the adduct formed between bovine pancreatic ribonuclease and trans-dimethylamine methylamine dichlorido platinum(II)
分子名称: Ribonuclease pancreatic, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
著者Russo Krauss, I, Merlino, A.
登録日2014-05-26
公開日2014-07-30
最終更新日2014-08-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
6BWH
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BU of 6bwh by Molmil
Crystal structure of Mycoibacterium tuberculosis Rv2983 in complex with PEP
分子名称: 2-phospho-L-lactate guanylyltransferase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
著者Bashiri, G, Jirgis, E.N.M, Baker, E.N.
登録日2017-12-15
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
6VIS
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BU of 6vis by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F:V62E Variant of HCRBPII
分子名称: GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2020-01-13
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020

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