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5L8W
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BU of 5l8w by Molmil
Structure of USP12-UB-PRG/UAF1
Descriptor: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 12, ...
Authors:Dharadhar, S, Sixma, T.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme.
J.Struct.Biol., 196, 2016
8HG6
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BU of 8hg6 by Molmil
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-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-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
8HG5
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BU of 8hg5 by Molmil
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-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-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
8HG3
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BU of 8hg3 by Molmil
Cryo-EM structure of the Lhcp complex from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-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-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
8FK4
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BU of 8fk4 by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in orthorhombic space group P21212
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, Glucosyltransferase-I, ...
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2022-12-20
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FJC
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BU of 8fjc by Molmil
Structure of the catalytic domain of Streptococcus mutans GtfB complexed to acarbose in tetragonal space group P4322
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2022-12-19
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
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
8WMV
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BU of 8wmv by Molmil
The structure of PSI-14CAC complex at 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 (2.94 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
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
2R40
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BU of 2r40 by Molmil
Crystal structure of 20E bound EcR/USP
Descriptor: (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CITRATE ANION, Ecdysone Receptor, ...
Authors:Moras, D, Billas, I.M.L, Browning, C.
Deposit date:2007-08-30
Release date:2007-10-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Critical Role of Desolvation in the Binding of 20-Hydroxyecdysone to the Ecdysone Receptor
J.Biol.Chem., 282, 2007
4CP7
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BU of 4cp7 by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Descriptor: CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Authors:deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
Deposit date:2014-01-31
Release date:2014-12-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4CPQ
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BU of 4cpq by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Descriptor: CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Authors:DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
Deposit date:2014-02-08
Release date:2014-12-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4COE
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BU of 4coe by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
Descriptor: CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Authors:DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
Deposit date:2014-01-28
Release date:2014-12-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
4EVI
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BU of 4evi by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine
Descriptor: 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ...
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-04-26
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
8R67
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BU of 8r67 by Molmil
tubulin-cryptophycin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ...
Authors:Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E.
Deposit date:2023-11-21
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
8ST7
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BU of 8st7 by Molmil
Structure of E3 ligase VsHECT bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST9
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BU of 8st9 by Molmil
Structure of E3 ligase NleL bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST8
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BU of 8st8 by Molmil
Structure of E3 ligase SopA bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8STH
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BU of 8sth by Molmil
human STING with diABZI agonist 15
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
8STI
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BU of 8sti by Molmil
human STING with agonist XMT-1616
Descriptor: 3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide, Stimulator of interferon genes protein
Authors:Duvall, J.R, Bukhalid, R.A.
Deposit date:2023-05-10
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
6VCU
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BU of 6vcu by Molmil
Homo sapiens FKBP12 protein bound with APX879 in P32 space group
Descriptor: ACETATE ION, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCT
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BU of 6vct by Molmil
Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group
Descriptor: N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide, Peptidylprolyl isomerase
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6VCV
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BU of 6vcv by Molmil
Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group
Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
7KOZ
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BU of 7koz by Molmil
CD1a-36:2 SM binary complex
Descriptor: (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wegrecki, M, Le Nours, J, Rossjohn, J.
Deposit date:2020-11-10
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021

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