8OJ8
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![BU of 8oj8 by Molmil](/molmil-images/mine/8oj8) | 60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native) | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | Deposit date: | 2023-03-24 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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4DE6
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![BU of 4de6 by Molmil](/molmil-images/mine/4de6) | Horse spleen apo-ferritin complex with arachidonic acid | Descriptor: | ARACHIDONIC ACID, CADMIUM ION, Ferritin light chain, ... | Authors: | Bu, W, Liu, R, Dmochowski, I.J, Loll, P.J, Eckenhoff, R.G. | Deposit date: | 2012-01-19 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Ferritin couples iron and fatty acid metabolism. Faseb J., 26, 2012
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5QBY
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![BU of 5qby by Molmil](/molmil-images/mine/5qby) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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5QCF
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![BU of 5qcf by Molmil](/molmil-images/mine/5qcf) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine, ... | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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5QBU
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![BU of 5qbu by Molmil](/molmil-images/mine/5qbu) | Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 1-[1-(3-{5-(1H-imidazole-5-carbonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)piperidin-4-yl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one, Cathepsin S | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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4ETT
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![BU of 4ett by Molmil](/molmil-images/mine/4ett) | |
8OJ0
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![BU of 8oj0 by Molmil](/molmil-images/mine/8oj0) | 60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native) | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R. | Deposit date: | 2023-03-23 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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8OJ5
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![BU of 8oj5 by Molmil](/molmil-images/mine/8oj5) | 60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (in-vitro reconstitution) | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Penchev, I, DaRosa, P.A, Peter, J.J, Kulathu, Y, Becker, T, Beckmann, R, Kopito, R. | Deposit date: | 2023-03-23 | Release date: | 2024-02-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER. Nature, 627, 2024
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8JRB
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![BU of 8jrb by Molmil](/molmil-images/mine/8jrb) | |
8J6R
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![BU of 8j6r by Molmil](/molmil-images/mine/8j6r) | Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | Deposit date: | 2023-04-26 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex. Nat Commun, 14, 2023
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8J6Q
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![BU of 8j6q by Molmil](/molmil-images/mine/8j6q) | Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex | Descriptor: | (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ... | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | Deposit date: | 2023-04-26 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex. Nat Commun, 14, 2023
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8J6P
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![BU of 8j6p by Molmil](/molmil-images/mine/8j6p) | Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ... | Authors: | Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y. | Deposit date: | 2023-04-26 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Orthosteric and allosteric modulation of human HCAR2 signaling complex. Nat Commun, 14, 2023
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4DB2
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![BU of 4db2 by Molmil](/molmil-images/mine/4db2) | Mss116p DEAD-box helicase domain 2 bound to an RNA duplex | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*GP*GP*CP*CP*CP*GP*CP*CP*C)-3', ATP-dependent RNA helicase MSS116, mitochondrial | Authors: | Mallam, A.L, Del Campo, M, Gilman, B.D, Sidote, D.J, Lambowitz, A. | Deposit date: | 2012-01-13 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.157 Å) | Cite: | Structural basis for RNA-duplex recognition and unwinding by the DEAD-box helicase Mss116p. Nature, 490, 2012
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2GQX
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![BU of 2gqx by Molmil](/molmil-images/mine/2gqx) | Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene | Descriptor: | 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ... | Authors: | Rao, Z, Wong, L.L, Xu, F, Bell, S.G. | Deposit date: | 2006-04-22 | Release date: | 2007-04-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam Protein Eng.Des.Sel., 20, 2007
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8KH5
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![BU of 8kh5 by Molmil](/molmil-images/mine/8kh5) | Cryo-EM structure of the GPR174-Gs complex bound to endogenous lysoPS | Descriptor: | CHOLESTEROL, 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: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | Deposit date: | 2023-08-21 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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2GJF
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![BU of 2gjf by Molmil](/molmil-images/mine/2gjf) | |
8KGK
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![BU of 8kgk by Molmil](/molmil-images/mine/8kgk) | Cryo-EM structure of the GPR61-Gs complex | Descriptor: | G-protein coupled receptor 61, 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: | Nie, Y, Qiu, Z, Zheng, S. | Deposit date: | 2023-08-19 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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8KH4
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![BU of 8kh4 by Molmil](/molmil-images/mine/8kh4) | Cryo-EM structure of the GPR161-Gs complex | Descriptor: | CHOLESTEROL, G-protein coupled receptor 161, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Nie, Y, Qiu, Z, Zheng, S, Chen, S. | Deposit date: | 2023-08-21 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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5OBH
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![BU of 5obh by Molmil](/molmil-images/mine/5obh) | Crystal structure of glycine binding protein in complex with bicuculline | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, Jones, M. | Deposit date: | 2017-06-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels. Chembiochem, 21, 2020
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2JBG
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![BU of 2jbg by Molmil](/molmil-images/mine/2jbg) | |
5UI4
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![BU of 5ui4 by Molmil](/molmil-images/mine/5ui4) | Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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5UMY
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![BU of 5umy by Molmil](/molmil-images/mine/5umy) | Crystal structure of TnmS3 in complex with tiancimycin | Descriptor: | (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione, Glyoxalase/bleomycin resisance protein/dioxygenase | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-01-29 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Resistance to Enediyne Antitumor Antibiotics by Sequestration. Cell Chem Biol, 25, 2018
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5V3Q
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![BU of 5v3q by Molmil](/molmil-images/mine/5v3q) | Human GSTO1-1 complexed with ML175 | Descriptor: | Glutathione S-transferase omega-1, N-{3-[(2-chloro-acetyl)-(4-nitro-phenyl)-amino]-propyl}-2,2,2-trifluoro-acetamide, SULFATE ION | Authors: | Oakley, A.J. | Deposit date: | 2017-03-07 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | GSTO1-1 plays a pro-inflammatory role in models of inflammation, colitis and obesity. Sci Rep, 7, 2017
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4C4Z
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![BU of 4c4z by Molmil](/molmil-images/mine/4c4z) | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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2GR9
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![BU of 2gr9 by Molmil](/molmil-images/mine/2gr9) | Crystal structure of P5CR complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, Pyrroline-5-carboxylate reductase 1 | Authors: | Meng, Z, Lou, Z, Liu, Z, Rao, Z. | Deposit date: | 2006-04-23 | Release date: | 2006-10-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of human pyrroline-5-carboxylate reductase J.Mol.Biol., 359, 2006
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