6HQB
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![BU of 6hqb by Molmil](/molmil-images/mine/6hqb) | Monomeric cyanobacterial photosystem I | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Netzer-El, S.Y, Nelson, N, Caspy, I. | Deposit date: | 2018-09-24 | Release date: | 2019-01-16 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal Structure of Photosystem I Monomer From Synechocystis PCC 6803. Front Plant Sci, 9, 2018
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6KY6
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![BU of 6ky6 by Molmil](/molmil-images/mine/6ky6) | Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc | Descriptor: | 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R. | Deposit date: | 2019-09-16 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
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6OWE
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![BU of 6owe by Molmil](/molmil-images/mine/6owe) | Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA | Descriptor: | 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate), Crotonyl-CoA carboxylase/reductase, IMIDAZOLE, ... | Authors: | DeMirci, H. | Deposit date: | 2019-05-09 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases. Proc.Natl.Acad.Sci.USA, 116, 2019
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6E6K
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![BU of 6e6k by Molmil](/molmil-images/mine/6e6k) | Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-25 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6GZS
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8E43
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![BU of 8e43 by Molmil](/molmil-images/mine/8e43) | E. coli 50S ribosome bound to compound streptogramin A analog 3336 | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S. | Deposit date: | 2022-08-17 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.09 Å) | Cite: | Streptogramin A analogs To Be Published
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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6L8L
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![BU of 6l8l by Molmil](/molmil-images/mine/6l8l) | C-Src in complex with ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Guo, M, Dai, S, Chen, L, Chen, Y. | Deposit date: | 2019-11-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.888 Å) | Cite: | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases. Bioorg.Med.Chem.Lett., 34, 2020
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6HUG
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![BU of 6hug by Molmil](/molmil-images/mine/6hug) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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6OLX
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![BU of 6olx by Molmil](/molmil-images/mine/6olx) | Hsp90-alpha S52A bound to PU-11-trans | Descriptor: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha | Authors: | Gewirth, D.T, Huck, J.D. | Deposit date: | 2019-04-17 | Release date: | 2019-07-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43760586 Å) | Cite: | Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity. Proteins, 87, 2019
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6H45
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![BU of 6h45 by Molmil](/molmil-images/mine/6h45) | crystal structure of the human TGT catalytic subunit QTRT1 in complex with queuine | Descriptor: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, BROMIDE ION, CHLORIDE ION, ... | Authors: | Johannsson, S, Neumann, P, Ficner, R. | Deposit date: | 2018-07-20 | Release date: | 2018-09-05 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules, 8, 2018
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6CQ8
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![BU of 6cq8 by Molmil](/molmil-images/mine/6cq8) | K2P2.1(TREK-1):ML335 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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6ODB
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![BU of 6odb by Molmil](/molmil-images/mine/6odb) | Crystal structure of HDAC8 in complex with compound 3 | Descriptor: | GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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8ED7
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![BU of 8ed7 by Molmil](/molmil-images/mine/8ed7) | cryo-EM structure of TRPM3 ion channel in apo state | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Transient receptor potential cation channel, subfamily M, ... | Authors: | Zhao, C, MacKinnon, R. | Deposit date: | 2022-09-03 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3. Neuron, 111, 2023
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8ED8
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![BU of 8ed8 by Molmil](/molmil-images/mine/8ed8) | cryo-EM structure of TRPM3 ion channel in the presence of PIP2 and PregS, state 1 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | Authors: | Zhao, C, MacKinnon, R. | Deposit date: | 2022-09-03 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3. Neuron, 111, 2023
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6OHT
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![BU of 6oht by Molmil](/molmil-images/mine/6oht) | Structure of EBP and U18666A | Descriptor: | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase, 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one | Authors: | Long, T, Li, X. | Deposit date: | 2019-04-06 | Release date: | 2019-06-19 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for human sterol isomerase in cholesterol biosynthesis and multidrug recognition. Nat Commun, 10, 2019
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8ED9
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![BU of 8ed9 by Molmil](/molmil-images/mine/8ed9) | cryo-EM structure of TRPM3 ion channel in the presence with PIP2 and PregS, state 2 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ... | Authors: | Zhao, C, MacKinnon, R. | Deposit date: | 2022-09-03 | Release date: | 2022-11-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural and functional analyses of a GPCR-inhibited ion channel TRPM3. Neuron, 111, 2023
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6DEO
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![BU of 6deo by Molmil](/molmil-images/mine/6deo) | |
6DEQ
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![BU of 6deq by Molmil](/molmil-images/mine/6deq) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6PEL
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6HOP
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6HUJ
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![BU of 6huj by Molmil](/molmil-images/mine/6huj) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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6E5L
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![BU of 6e5l by Molmil](/molmil-images/mine/6e5l) | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD) | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | Deposit date: | 2018-07-20 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
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6P3A
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![BU of 6p3a by Molmil](/molmil-images/mine/6p3a) | Crystal Structure Analysis of TAF1 Bromodomain | Descriptor: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure Analysis of TAF1 Bromodomain To Be Published
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