6QBG
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![BU of 6qbg by Molmil](/molmil-images/mine/6qbg) | Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14 | Descriptor: | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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6Q2C
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![BU of 6q2c by Molmil](/molmil-images/mine/6q2c) | Domain-swapped dimer of Acanthamoeba castellanii CYP51 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2019-08-07 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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7WDG
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![BU of 7wdg by Molmil](/molmil-images/mine/7wdg) | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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6QL5
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![BU of 6ql5 by Molmil](/molmil-images/mine/6ql5) | Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 2.8 angstrom | Descriptor: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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7WDD
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![BU of 7wdd by Molmil](/molmil-images/mine/7wdd) | Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine, styrene and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
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8APC
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![BU of 8apc by Molmil](/molmil-images/mine/8apc) | rotational state 1c of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APF
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![BU of 8apf by Molmil](/molmil-images/mine/8apf) | rotational state 2a of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APD
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![BU of 8apd by Molmil](/molmil-images/mine/8apd) | rotational state 1d of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APH
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![BU of 8aph by Molmil](/molmil-images/mine/8aph) | rotational state 2c of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APJ
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![BU of 8apj by Molmil](/molmil-images/mine/8apj) | rotational state 2d of Trypanosoma brucei mitochondrial ATP synthase | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APB
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![BU of 8apb by Molmil](/molmil-images/mine/8apb) | rotational state 1b of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APA
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![BU of 8apa by Molmil](/molmil-images/mine/8apa) | rotational state 1a of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APE
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![BU of 8ape by Molmil](/molmil-images/mine/8ape) | rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APK
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![BU of 8apk by Molmil](/molmil-images/mine/8apk) | rotational state 3 of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8APG
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![BU of 8apg by Molmil](/molmil-images/mine/8apg) | rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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8AP6
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![BU of 8ap6 by Molmil](/molmil-images/mine/8ap6) | Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 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, ... | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | Deposit date: | 2022-08-09 | Release date: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases. Nat Commun, 13, 2022
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6QDZ
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![BU of 6qdz by Molmil](/molmil-images/mine/6qdz) | P38 alpha complex with AR117045 | Descriptor: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Brown, D.G, Hurley, C, Irving, S.L. | Deposit date: | 2019-01-03 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | P38 alpha complex with AR117045 To Be Published
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6QL6
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![BU of 6ql6 by Molmil](/molmil-images/mine/6ql6) | Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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6QL9
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![BU of 6ql9 by Molmil](/molmil-images/mine/6ql9) | Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ... | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | Deposit date: | 2019-01-31 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
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7XAT
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![BU of 7xat by Molmil](/molmil-images/mine/7xat) | Structure of somatostatin receptor 2 bound with SST14. | 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(i) subunit alpha-1, ... | Authors: | Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L. | Deposit date: | 2022-03-19 | Release date: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues. Cell Discov, 8, 2022
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6RD5
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![BU of 6rd5 by Molmil](/molmil-images/mine/6rd5) | CryoEM structure of Polytomella F-ATP synthase, focussed refinement of Fo and peripheral stalk, C2 symmetry | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ATP synthase associated protein ASA1, ... | Authors: | Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W. | Deposit date: | 2019-04-12 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling. Science, 364, 2019
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6QE1
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![BU of 6qe1 by Molmil](/molmil-images/mine/6qe1) | P38 alpha complex with AR117046 | Descriptor: | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Brown, D.G, Hurley, C, Irving, S.L. | Deposit date: | 2019-01-03 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | P38 alpha complex with AR117045 and AR117046 To Be Published
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8B6G
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![BU of 8b6g by Molmil](/molmil-images/mine/8b6g) | Cryo-EM structure of succinate dehydrogenase complex (complex-II) in respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | Authors: | Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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8B6J
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![BU of 8b6j by Molmil](/molmil-images/mine/8b6j) | Cryo-EM structure of cytochrome bc1 complex (complex-III) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apocytochrome b, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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8BOM
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![BU of 8bom by Molmil](/molmil-images/mine/8bom) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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