7Y44
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![BU of 7y44 by Molmil](/molmil-images/mine/7y44) | Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Hirata, K, Ago, H. | Deposit date: | 2022-06-14 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
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5YE9
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![BU of 5ye9 by Molmil](/molmil-images/mine/5ye9) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | Descriptor: | N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2017-09-15 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.876 Å) | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YE7
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![BU of 5ye7 by Molmil](/molmil-images/mine/5ye7) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | Descriptor: | N-[4-[(4-naphthalen-2-yloxyphenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2017-09-15 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YE8
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![BU of 5ye8 by Molmil](/molmil-images/mine/5ye8) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | Descriptor: | N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide, Platelet-activating factor acetylhydrolase | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2017-09-15 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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5YEA
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![BU of 5yea by Molmil](/molmil-images/mine/5yea) | The crystal structure of Lp-PLA2 in complex with a novel inhibitor | Descriptor: | 4-[[4-[4-chloranyl-3-(trifluoromethyl)phenoxy]-3-cyano-phenyl]sulfamoyl]benzoic acid, Platelet-activating factor acetylhydrolase, SULFATE ION | Authors: | Liu, Q.F, Xu, Y.C. | Deposit date: | 2017-09-15 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2. J. Med. Chem., 60, 2017
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6LY5
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![BU of 6ly5 by Molmil](/molmil-images/mine/6ly5) | Organization and energy transfer in a huge diatom PSI-FCPI supercomplex | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Xiong, P, Caizhe, X. | Deposit date: | 2020-02-13 | Release date: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex. Nat Commun, 11, 2020
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6IGZ
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![BU of 6igz by Molmil](/molmil-images/mine/6igz) | Structure of PSI-LHCI | Descriptor: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Xiong, P, Xiaochun, Q. | Deposit date: | 2018-09-27 | Release date: | 2019-02-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits. Nat Plants, 5, 2019
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5V2C
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![BU of 5v2c by Molmil](/molmil-images/mine/5v2c) | RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Wang, J, Wiwczar, J.M, Brudvig, G.W. | Deposit date: | 2017-03-03 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria. Photosyn. Res., 134, 2017
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7D6H
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![BU of 7d6h by Molmil](/molmil-images/mine/7d6h) | |
5ZGH
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![BU of 5zgh by Molmil](/molmil-images/mine/5zgh) | Cryo-EM structure of the red algal PSI-LHCR | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Pi, X. | Deposit date: | 2018-03-09 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7E35
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![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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5ZGB
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![BU of 5zgb by Molmil](/molmil-images/mine/5zgb) | Cryo-EM structure of the red algal PSI-LHCR | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Pi, X. | Deposit date: | 2018-03-08 | Release date: | 2018-04-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6JUH
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![BU of 6juh by Molmil](/molmil-images/mine/6juh) | structure of CavAb in complex with efonidipine | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ... | Authors: | Tang, L, Xu, F. | Deposit date: | 2019-04-13 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for efonidipine block of a voltage-gated Ca2+channel. Biochem.Biophys.Res.Commun., 513, 2019
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6E1J
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![BU of 6e1j by Molmil](/molmil-images/mine/6e1j) | |
7CJS
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![BU of 7cjs by Molmil](/molmil-images/mine/7cjs) | structure of aquaporin | Descriptor: | Aquaporin NIP2-1, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Saitoh, Y, Ma, J.F, Suga, M. | Deposit date: | 2020-07-13 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for high selectivity of a rice silicon channel Lsi1. Nat Commun, 12, 2021
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8B0Y
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![BU of 8b0y by Molmil](/molmil-images/mine/8b0y) | cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A co-expression (T = 3) | Descriptor: | Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A | Authors: | Ni, T, Jiang, Q, Liu, L.N, Zhang, P. | Deposit date: | 2022-09-08 | Release date: | 2023-08-23 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly. Nat Commun, 14, 2023
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8B11
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![BU of 8b11 by Molmil](/molmil-images/mine/8b11) | cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 4) | Descriptor: | Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A | Authors: | Ni, T, Jiang, Q, Liu, L.N, Zhang, P. | Deposit date: | 2022-09-08 | Release date: | 2023-08-23 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly. Nat Commun, 14, 2023
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7XGO
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![BU of 7xgo by Molmil](/molmil-images/mine/7xgo) | Human renin in complex with compound2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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7XGK
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![BU of 7xgk by Molmil](/molmil-images/mine/7xgk) | Human renin in complex with compound1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-08-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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6ECH
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![BU of 6ech by Molmil](/molmil-images/mine/6ech) | Pyruvate Kinase Isoform L-type with phosphorylated Ser12 (pS12) in complex with FBP | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Padyana, A, Tong, S. | Deposit date: | 2018-08-07 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Rep, 29, 2019
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7DPV
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![BU of 7dpv by Molmil](/molmil-images/mine/7dpv) | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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5Z0S
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![BU of 5z0s by Molmil](/molmil-images/mine/5z0s) | Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors Molecules, 23, 2018
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6ECK
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![BU of 6eck by Molmil](/molmil-images/mine/6eck) | Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, CITRATE ANION, ... | Authors: | Padyana, A, Tong, S. | Deposit date: | 2018-08-08 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Distinct Hepatic PKA and CDK Signaling Pathways Control Activity-Independent Pyruvate Kinase Phosphorylation and Hepatic Glucose Production. Cell Rep, 29, 2019
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8CJ5
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![BU of 8cj5 by Molmil](/molmil-images/mine/8cj5) | |
5AA3
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![BU of 5aa3 by Molmil](/molmil-images/mine/5aa3) | |