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8BS3
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BU of 8bs3 by Molmil
Structure of USP36 in complex with Fubi-PA
Descriptor: 40S ribosomal protein S30, Ubiquitin carboxyl-terminal hydrolase 36, ZINC ION, ...
Authors:O'Dea, R, Gersch, M.
Deposit date:2022-11-24
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2014-06-30
Release date:2014-11-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective inhibitors of the FK506-binding protein 51 by induced fit.
Nat.Chem.Biol., 11, 2015
4TUN
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BU of 4tun by Molmil
Crystal structure of Chicken egg white lysozyme adduct with Organophosphorus pesticide Monochrotophos
Descriptor: ACETATE ION, Lysozyme C, methyl [4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] hydrogen phosphate
Authors:Amaraneni, S.R, Kumar, S, Samudrala, G.
Deposit date:2014-06-24
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.925 Å)
Cite: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
Descriptor: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Alvigini, L, Mattevi, A.
Deposit date:2022-10-11
Release date:2023-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
8BCV
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BU of 8bcv by Molmil
Photosystem I assembly intermediate of Avena sativa
Descriptor: (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, ...
Authors:Naschberger, A, Amunts, A, Nelson, N.
Deposit date:2022-10-17
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Motlova, L, Barinka, C, Benesova, M.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: 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', ...
Authors:Maletta, M, Orlov, I, Moras, D, Billas, I.M.L, Klaholz, B.P.
Deposit date:2014-05-19
Release date:2014-06-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (11.6 Å)
Cite: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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BU of 8clv by Molmil
Zearalenone lactonase of Rhodococcus erythropolis in complex with hydrolyzed zearalenone
Descriptor: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Zearalenone lactonase
Authors:Puehringer, D.
Deposit date:2023-02-17
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLQ
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BU of 8clq by Molmil
Zearalenone lactonase of Streptomyces coelicoflavus mutant H286Y in complex with hydrolyzed zearalenone
Descriptor: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Hydrolase
Authors:Puehringer, D, Mlynek, G.
Deposit date:2023-02-17
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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.
Descriptor: (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, ...
Authors:Fadeeva, M, Klaiman, D, Nelson, N.
Deposit date:2023-02-20
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
Descriptor: (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, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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
Descriptor: (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, ...
Authors:Di Trani, J, Rubinstein, J.
Deposit date:2022-06-02
Release date:2022-07-06
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of mammalian complex IV inhibition by steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
8DDQ
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BU of 8ddq by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of soluble Gbg, focused on channel
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: 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, ...
Authors:Guiley, K.Z, Shokat, K.M.
Deposit date:2022-06-15
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7200973 Å)
Cite: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
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 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
Authors:Hung, S.-H, Swairjo, M.A.
Deposit date:2022-07-06
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 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, ...
Authors:Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
Deposit date:2023-01-18
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8C81
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BU of 8c81 by Molmil
Cryo-EM structure of the yeast SPT-Orm1-Sac1 complex
Descriptor: 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, ...
Authors:Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
Deposit date:2023-01-18
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8C82
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BU of 8c82 by Molmil
Cryo-EM structure of the yeast SPT-Orm1-Dimer complex
Descriptor: 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, ...
Authors:Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
Deposit date:2023-01-18
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
Descriptor: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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

222415

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