6JO2
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![BU of 6jo2 by Molmil](/molmil-images/mine/6jo2) | Ferredoxin I from Thermosynechococcus elongatus | Descriptor: | BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ... | Authors: | Motomura, T. | Deposit date: | 2019-03-19 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An alternative plant-like cyanobacterial ferredoxin with unprecedented structural and functional properties. Biochim Biophys Acta Bioenerg, 1860, 2019
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7CZL
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![BU of 7czl by Molmil](/molmil-images/mine/7czl) | Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Pi, X, Huang, G, Xiao, Y. | Deposit date: | 2020-09-09 | Release date: | 2021-01-20 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus . Proc.Natl.Acad.Sci.USA, 118, 2021
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6KKH
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![BU of 6kkh by Molmil](/molmil-images/mine/6kkh) | Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ... | Authors: | Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C. | Deposit date: | 2019-07-25 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii. Biochem.Biophys.Res.Commun., 518, 2019
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6AFR
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![BU of 6afr by Molmil](/molmil-images/mine/6afr) | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | Deposit date: | 2018-08-08 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors Eur J Med Chem, 163, 2018
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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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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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8DBR
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![BU of 8dbr by Molmil](/molmil-images/mine/8dbr) | E. coli ATP synthase imaged in 10mM MgATP State2 "half-up | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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8DBT
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![BU of 8dbt by Molmil](/molmil-images/mine/8dbt) | E. coli ATP synthase imaged in 10mM MgATP State2 "down | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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8DBP
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![BU of 8dbp by Molmil](/molmil-images/mine/8dbp) | E. coli ATP synthase imaged in 10mM MgATP State1 "half-up | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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8DBS
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8DBW
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![BU of 8dbw by Molmil](/molmil-images/mine/8dbw) | |
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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8DBU
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![BU of 8dbu by Molmil](/molmil-images/mine/8dbu) | |
8DBQ
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![BU of 8dbq by Molmil](/molmil-images/mine/8dbq) | |
8DBV
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![BU of 8dbv by Molmil](/molmil-images/mine/8dbv) | E. coli ATP synthase imaged in 10mM MgATP State3 "down | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Sobti, M, Stewart, A.G. | Deposit date: | 2022-06-14 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Changes within the central stalk of E. coli F 1 F o ATP synthase observed after addition of ATP. Commun Biol, 6, 2023
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7XGP
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![BU of 7xgp by Molmil](/molmil-images/mine/7xgp) | Human renin in complex with compound3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | Authors: | Kashima, A. | Deposit date: | 2022-04-05 | Release date: | 2022-09-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J.Med.Chem., 65, 2022
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6KIN
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![BU of 6kin by Molmil](/molmil-images/mine/6kin) | Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | Authors: | Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L. | Deposit date: | 2019-07-19 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii. Biochem.Biophys.Res.Commun., 518, 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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8CJ5
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![BU of 8cj5 by Molmil](/molmil-images/mine/8cj5) | |
6B3W
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![BU of 6b3w by Molmil](/molmil-images/mine/6b3w) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 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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5JSG
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![BU of 5jsg by Molmil](/molmil-images/mine/5jsg) | Crystal structure of Spindlin1 bound to compound EML405 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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4QR5
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![BU of 4qr5 by Molmil](/molmil-images/mine/4qr5) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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5JSJ
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![BU of 5jsj by Molmil](/molmil-images/mine/5jsj) | Crystal structure of Spindlin1 bound to compound EML631 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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4QR3
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![BU of 4qr3 by Molmil](/molmil-images/mine/4qr3) | Brd4 Bromodomain 1 complex with its novel inhibitors | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
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