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8ER6
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BU of 8er6 by Molmil
FKBP12-FRB in Complex with Compound 11
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8Z02
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BU of 8z02 by Molmil
CoA bound to human GTP-specific succinyl-CoA synthetase
Descriptor: COENZYME A, PHOSPHATE ION, Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ...
Authors:Liu, R.L, Ren, X.L, Li, L.T, Zhang, Y, Huang, H, Zhao, Y.M.
Deposit date:2024-04-08
Release date:2024-12-11
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Nuclear GTPSCS functions as a lactyl-CoA synthetase to promote histone lactylation and gliomagenesis.
Cell Metab., 37, 2025
8Z03
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BU of 8z03 by Molmil
Lactate bound to human GTP-specific succinyl-CoA synthetase
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, COENZYME A, MAGNESIUM ION, ...
Authors:Liu, R.L, Ren, X.L, Li, L.T, Zhang, Y, Huang, H, Zhao, Y.M.
Deposit date:2024-04-08
Release date:2024-12-11
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Nuclear GTPSCS functions as a lactyl-CoA synthetase to promote histone lactylation and gliomagenesis.
Cell Metab., 37, 2025
8FB1
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BU of 8fb1 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FB2
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BU of 8fb2 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Vajdos, F.F.
Deposit date:2022-11-29
Release date:2023-03-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
4I6L
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BU of 4i6l by Molmil
Crystal structure of OTUB1 in complex with ubiquitin variant
Descriptor: Ubiquitin, Ubiquitin thioesterase OTUB1
Authors:Juang, Y.C, Sicheri, F.
Deposit date:2012-11-29
Release date:2013-01-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
8F7C
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BU of 8f7c by Molmil
Cryo-EM structure of human pannexin 2
Descriptor: Pannexin-2, Soluble cytochrome b562 fusion
Authors:He, Z, Yuan, P.
Deposit date:2022-11-18
Release date:2023-04-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural and functional analysis of human pannexin 2 channel.
Nat Commun, 14, 2023
6M7L
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BU of 6m7l by Molmil
Complex of OxyA with the X-domain from GPA biosynthesis
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase, Putative non-ribosomal peptide synthetase
Authors:Greule, A, Izore, T, Tailhades, J, Peschke, M, Schoppet, M, Ahmed, I, Kulik, A, Adamek, M, Ziemert, N, De Voss, J, Stegmann, E, Cryle, M.J.
Deposit date:2018-08-20
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.648297 Å)
Cite:Kistamicin biosynthesis reveals the biosynthetic requirements for production of highly crosslinked glycopeptide antibiotics.
Nat Commun, 10, 2019
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-01-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
6AKK
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BU of 6akk by Molmil
Crystal structure of the second Coiled-coil domain of SIKE1
Descriptor: GLYCEROL, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKL
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BU of 6akl by Molmil
Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain
Descriptor: Striatin-3, Suppressor of IKBKE 1
Authors:Zhou, L, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-02-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
8XOA
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BU of 8xoa by Molmil
VMAT2 complex with MPP+
Descriptor: 1-methyl-4-phenylpyridin-1-ium, Synaptic vesicular amine transporter,Synaptic vesicular amine transporter,transporterA
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8XO9
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BU of 8xo9 by Molmil
VMAT2 complex with noradrenaline in cytosol-facing state
Descriptor: Noradrenaline, Synaptic vesicular amine transporter,Synaptic vesicular amine transporter,transporter A
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8XOB
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BU of 8xob by Molmil
VMAT2 protonated state
Descriptor: Synaptic vesicular amine transporter,transporter B
Authors:Jiang, D.H, Wu, D.
Deposit date:2023-12-31
Release date:2024-05-08
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural snapshots of human VMAT2 reveal insights into substrate recognition and proton coupling mechanism.
Cell Res., 34, 2024
8WQV
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BU of 8wqv by Molmil
Fe-O nanocluster of form-VIII in the 4-fold channel of Ureaplasma diversum ferritin
Descriptor: FE (III) ION, Ferritin
Authors:Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F.
Deposit date:2023-10-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WPT
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BU of 8wpt by Molmil
Truncated mutant (1-171) of ferritin from Ureaplasma diversum
Descriptor: CHLORIDE ION, FE (III) ION, Truncated ferritin
Authors:Wang, W.M, Xi, H.F, Gong, W.J, Ma, D.Y, Wang, H.F.
Deposit date:2023-10-10
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WR0
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BU of 8wr0 by Molmil
Fe-O nanocluster of form-XII in the 4-fold channel of Ureaplasma diversum ferritin
Descriptor: FE (III) ION, ferritin
Authors:Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F.
Deposit date:2023-10-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WQY
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BU of 8wqy by Molmil
Fe-O nanocluster of form-XI in the 4-fold channel of Ureaplasma diversum ferritin
Descriptor: FE (III) ION, ferritin
Authors:Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F.
Deposit date:2023-10-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WPV
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BU of 8wpv by Molmil
Truncated mutant (1-171) of ferritin from Ureaplasma diversum soaked in Fe2+ solution for 30min
Descriptor: CHLORIDE ION, FE (III) ION, MAGNESIUM ION, ...
Authors:Wang, W.M, Xi, H.F, Gong, W.J, Ma, D.Y, Wang, H.F.
Deposit date:2023-10-10
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WQU
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BU of 8wqu by Molmil
Fe-O nanocluster of form-IX in the 4-fold channel of Ureaplasma diversum ferritin
Descriptor: FE (III) ION, ferritin
Authors:Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F.
Deposit date:2023-10-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
8WQX
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BU of 8wqx by Molmil
Fe-O nanocluster of form-X in the 4-fold channel of Ureaplasma diversum ferritin
Descriptor: FE (III) ION, ferritin
Authors:Wang, W.M, Ma, D.Y, Gong, W.J, Wu, L.J, Wang, H.F.
Deposit date:2023-10-12
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Growth Process of Fe-O Nanoclusters with Different Sizes Biosynthesized by Protein Nanocages.
J.Am.Chem.Soc., 146, 2024
6AKM
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BU of 6akm by Molmil
Crystal structure of SLMAP-SIKE1 complex
Descriptor: GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1
Authors:Ma, J, Chen, M, Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
5YYL
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BU of 5yyl by Molmil
Structure of Major Royal Jelly Protein 1 Oligomer
Descriptor: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tian, W, Chen, Z.
Deposit date:2017-12-10
Release date:2018-08-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Architecture of the native major royal jelly protein 1 oligomer.
Nat Commun, 9, 2018

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