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9EVX
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BU of 9evx by Molmil
cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P.
Deposit date:2024-04-02
Release date:2024-06-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (1.71 Å)
Cite:Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II.
Science, 384, 2024
9EXX
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BU of 9exx by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-04-25
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
8Y7L
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BU of 8y7l by Molmil
Crystal Structure of Nur77 LBD in complex with N-(2'-(4-hydroxypiperidin-1-yl)-[4,4'-bipyridin]-2-yl)cinnamamide
Descriptor: (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide, Nuclear receptor subfamily 4immunitygroup A member 1
Authors:Hong, W.B, Lin, T.W.
Deposit date:2024-02-04
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:Discovery of a novel exceptionally potent and orally active Nur77 ligand NB1 with a distinct binding mode for cancer therapy
Acta Pharm Sin B, 2024
8VWW
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BU of 8vww by Molmil
CCHFV GP38 bound to ADI-46152 and ADI-58048 Fabs
Descriptor: ADI-46152 Fab Heavy Chain, ADI-46152 Fab Light Chain, ADI-58048 Fab Heavy Chain, ...
Authors:Hjorth, C.K, McLellan, J.S.
Deposit date:2024-02-02
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-05-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8YKX
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BU of 8ykx by Molmil
Cryo-EM structure of succinate receptor SUCR1 bound to maleic acid
Descriptor: Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Li, C, Liu, H, Li, J, Zhu, H, Fu, W, Xu, H.E.
Deposit date:2024-03-05
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Molecular basis of ligand recognition and activation of the human succinate receptor SUCR1.
Cell Res., 2024
4V3K
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BU of 4v3k by Molmil
RNF38-UbcH5B-UB complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF38, ...
Authors:Buetow, L, Gabrielsen, M, Anthony, N.G, Dou, H, Patel, A, Aitkenhead, H, Sibbet, G.J, Smith, B.O, Huang, D.T.
Deposit date:2014-10-20
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Activation of a Primed Ring E3-E2-Ubiquitin Complex by Non-Covalent Ubiquitin.
Mol.Cell, 58, 2015
8XIP
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BU of 8xip by Molmil
Structure of Pasireotide-SSTR1 G protein complex
Descriptor: 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIR
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BU of 8xir by Molmil
Structure of pasireotide-SSTR3 G protein complex
Descriptor: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
9BKJ
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BU of 9bkj by Molmil
Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex
Descriptor: AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ...
Authors:Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
Deposit date:2024-04-29
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling
To Be Published
8XHK
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BU of 8xhk by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE
Authors:Xu, M.J, Zhang, D.K.
Deposit date:2023-12-18
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
8WMW
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BU of 8wmw by Molmil
The structure of PSI-11CAC at the stationary growth phase
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhang, S.M, Si, L, Li, M.
Deposit date:2023-10-04
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
8WMJ
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BU of 8wmj by Molmil
structure of PSI-11CAC complex at Logrithmic growth phase
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhang, S.M, Si, L, Li, M.
Deposit date:2023-10-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
9BGP
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BU of 9bgp by Molmil
X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase
Authors:Fait, D.J, Thoden, J.B, Holden, H.M.
Deposit date:2024-04-19
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
8WM6
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BU of 8wm6 by Molmil
The structure of PSI-CAC(L-14)of R.salina at 2.7 angstroms resolution
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhang, S.M, Si, L, Li, M.
Deposit date:2023-10-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
8VVK
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BU of 8vvk by Molmil
CCHFV GP38 bound to ADI-46143 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ...
Authors:Hjorth, C.K, McLellan, J.S.
Deposit date:2024-01-31
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
8W8Q
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BU of 8w8q by Molmil
Cryo-EM structure of the GPR101-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y.
Deposit date:2023-09-04
Release date:2024-01-03
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
8VVL
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BU of 8vvl by Molmil
CCHFV GP38 bound to c13G8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hjorth, C.K, Mishra, A.K, McLellan, J.S.
Deposit date:2024-01-31
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
8WMK
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BU of 8wmk by Molmil
Structure of ConA/Man2
Descriptor: 4-[3-(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ...
Authors:Li, L, Chen, G.
Deposit date:2023-10-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks.
To Be Published
8XHD
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BU of 8xhd by Molmil
Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor and L-glutamate
Descriptor: 8-amino-7-oxononanoate synthase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE
Authors:Xu, M.J, Zhang, D.K.
Deposit date:2023-12-17
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mechanistic investigations on CC bond forming alpha-oxoamine synthase allowing L-glutamate as substrate.
Int.J.Biol.Macromol., 268, 2024
8WMG
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BU of 8wmg by Molmil
Structure of ConA/Man3
Descriptor: 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ...
Authors:Li, L, Chen, G.
Deposit date:2023-10-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks.
To Be Published

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数据于2024-07-31公开中

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