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8BS3
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Structure of USP36 in complex with Fubi-PA
分子名称: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ...
著者O'Dea, R, Gersch, M.
登録日2022-11-24
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for ubiquitin/Fubi cross-reactivity in USP16 and USP36.
Nat.Chem.Biol., 19, 2023
4TW7
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BU of 4tw7 by Molmil
The Fk1 domain of FKBP51 in complex with iFit4
分子名称: (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Gaali, S, Kirschner, A, Cuboni, S, Hartmann, J, Kozany, C, Balsevich, G, Namendorf, C, Fernandez-Vizarra, P, Almeida, O.F.X, Ruehter, G, Uhr, M, Schmidt, M.V, Touma, C, Bracher, A, Hausch, F.
登録日2014-06-30
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TUN
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Crystal structure of Chicken egg white lysozyme adduct with Organophosphorus pesticide Monochrotophos
分子名称: ACETATE ION, Lysozyme C, methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
著者Amaraneni, S.R, Kumar, S, Samudrala, G.
登録日2014-06-24
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Biophysical aspects of lysozyme adduct with monocrotophos.
Anal Bioanal Chem, 406, 2014
8BAP
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BU of 8bap by Molmil
Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, eightfold mutant active on propanol syringol
分子名称: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Alvigini, L, Mattevi, A.
登録日2022-10-11
公開日2023-10-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
8BCV
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Photosystem I assembly intermediate of Avena sativa
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Naschberger, A, Amunts, A, Nelson, N.
登録日2022-10-17
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Photosystem I assembly intermediate of Avena sativa
To Be Published
8BOW
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BU of 8bow by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617
分子名称: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 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Motlova, L, Barinka, C, Benesova, M.
登録日2022-11-15
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617
To Be Published
4UMM
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BU of 4umm by Molmil
The Cryo-EM structure of the palindromic DNA-bound USP-EcR nuclear receptor reveals an asymmetric organization with allosteric domain positioning
分子名称: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, 5'-D(*CP*AP*AP*GP*GP*GP*TP*TP*CP*AP*AP*TP*GP*CP *AP*CP*TP*TP*GP*TP)-3', 5'-D(*DGP*AP*CP*AP*AP*GP*TP*GP*CP*AP*TP*TP*GP*DAP *AP*CP*CP*CP*TP*T)-3', ...
著者Maletta, M, Orlov, I, Moras, D, Billas, I.M.L, Klaholz, B.P.
登録日2014-05-19
公開日2014-06-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献The Palindromic DNA-Bound Usp-Ecr Nuclear Receptor Adopts an Asymmetric Organization with Allosteric Domain Positioning.
Nat.Commun., 5, 2014
8CLV
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Zearalenone lactonase of Rhodococcus erythropolis in complex with hydrolyzed zearalenone
分子名称: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Zearalenone lactonase
著者Puehringer, D.
登録日2023-02-17
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLQ
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Zearalenone lactonase of Streptomyces coelicoflavus mutant H286Y in complex with hydrolyzed zearalenone
分子名称: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Hydrolase
著者Puehringer, D, Mlynek, G.
登録日2023-02-17
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CMO
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BU of 8cmo by Molmil
Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
著者Fadeeva, M, Klaiman, D, Nelson, N.
登録日2023-02-20
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.
To Be Published
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZE
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BU of 8bze by Molmil
FC-J stabilizer for ERa and 14-3-3
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]oxy]-6-(2-methylbut-3-en-2-yloxymethyl)oxane-3,4,5-triol, 14-3-3 protein sigma, ERalpha peptide, ...
著者Visser, E.J, Ottmann, C.
登録日2022-12-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a new potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8D4T
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BU of 8d4t by Molmil
Mammalian CIV with GDN bound
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ...
著者Di Trani, J, Rubinstein, J.
登録日2022-06-02
公開日2022-07-06
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of mammalian complex IV inhibition by steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DDQ
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cryo-EM structure of TRPM3 ion channel in the presence of soluble Gbg, focused on channel
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-18
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDS
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BU of 8dds by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state1
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-18
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDT
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BU of 8ddt by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state2
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-18
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DC8
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BU of 8dc8 by Molmil
Crystal structure of p53 Y220C covalently bound to azaindole KG13
分子名称: 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form, Cellular tumor antigen p53, ...
著者Guiley, K.Z, Shokat, K.M.
登録日2022-06-15
公開日2022-10-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7200973 Å)
主引用文献A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
8DDR
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BU of 8ddr by Molmil
cryo-EM structure of TRPM3 ion channel in the absence of PIP2
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-18
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDX
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BU of 8ddx by Molmil
cryo-EM structure of TRPM3 ion channel in complex with Gbg in the presence of PIP2, tethered by ALFA-nanobody
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-19
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDV
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BU of 8ddv by Molmil
Cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state4
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
著者Zhao, C, MacKinnon, R.
登録日2022-06-19
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DL3
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BU of 8dl3 by Molmil
Crystal structure of the human queuine salvage enzyme DUF2419, complexed with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, Queuosine salvage protein
著者Hung, S.-H, Swairjo, M.A.
登録日2022-07-06
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Nucleic Acids Res., 51, 2023
8C80
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BU of 8c80 by Molmil
Cryo-EM structure of the yeast SPT-Orm1-Monomer complex
分子名称: 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ...
著者Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
登録日2023-01-18
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8C81
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Cryo-EM structure of the yeast SPT-Orm1-Sac1 complex
分子名称: 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ...
著者Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
登録日2023-01-18
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8C82
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Cryo-EM structure of the yeast SPT-Orm1-Dimer complex
分子名称: 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, PYRIDOXAL-5'-PHOSPHATE, ...
著者Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
登録日2023-01-18
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8D1Y
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Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
分子名称: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
著者Mrozek, A, Park, H.W.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022

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