8E95
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![BU of 8e95 by Molmil](/molmil-images/mine/8e95) | Mycobacterium tuberculosis RNAP elongation complex | Descriptor: | DNA (25-MER), DNA (33-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2022-08-26 | Release date: | 2023-03-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
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6C0M
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![BU of 6c0m by Molmil](/molmil-images/mine/6c0m) | The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, Ve, T, von Itzstein, M. | Deposit date: | 2018-01-01 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes. ACS Chem. Biol., 13, 2018
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8E8M
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![BU of 8e8m by Molmil](/molmil-images/mine/8e8m) | Mycobacterium tuberculosis RNAP paused elongation complex | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2022-08-25 | Release date: | 2023-03-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
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2RDL
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![BU of 2rdl by Molmil](/molmil-images/mine/2rdl) | Hamster Chymase 2 | Descriptor: | Chymase 2, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION | Authors: | Spurlino, J, Abad, M, Kervinen, J. | Deposit date: | 2007-09-24 | Release date: | 2007-10-30 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for elastolytic substrate specificity in rodent alpha-chymases. J.Biol.Chem., 283, 2008
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7LH9
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![BU of 7lh9 by Molmil](/molmil-images/mine/7lh9) | Crystal structure of BRPF2 PWWP domain in complex with DNA | Descriptor: | Bromodomain-containing protein 1, DNA | Authors: | Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-01-21 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains. Biochim Biophys Acta Gene Regul Mech, 1864, 2021
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6TA5
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![BU of 6ta5 by Molmil](/molmil-images/mine/6ta5) | OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs | Descriptor: | Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM | Authors: | Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I. | Deposit date: | 2019-10-29 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex. Nat Commun, 11, 2020
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8OFW
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![BU of 8ofw by Molmil](/molmil-images/mine/8ofw) | |
5NFE
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![BU of 5nfe by Molmil](/molmil-images/mine/5nfe) | Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution | Descriptor: | Transthyretin | Authors: | Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-03-14 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION | Cite: | A molecular mechanism for transthyretin amyloidogenesis. Nat Commun, 10, 2019
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5NEA
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![BU of 5nea by Molmil](/molmil-images/mine/5nea) | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Ferraroni, M, Supuran, C.T, Krasavin, M. | Deposit date: | 2017-03-10 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
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5L3K
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![BU of 5l3k by Molmil](/molmil-images/mine/5l3k) | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a ternary complex with ADP and fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | Deposit date: | 2016-05-23 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.305 Å) | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Mbio, 10, 2019
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5UZS
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![BU of 5uzs by Molmil](/molmil-images/mine/5uzs) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-27 | Release date: | 2017-03-22 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P200 To Be Published
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6JLL
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![BU of 6jll by Molmil](/molmil-images/mine/6jll) | XFEL structure of cyanobacterial photosystem II (2F state, dataset1) | 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: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
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7LSZ
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![BU of 7lsz by Molmil](/molmil-images/mine/7lsz) | Hsp90a N-terminal inhibitor | Descriptor: | Heat shock protein HSP 90-alpha, {3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone | Authors: | Balch, M, Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-02-18 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective Inhibition of the Hsp90 alpha Isoform. Angew.Chem.Int.Ed.Engl., 60, 2021
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6C5W
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![BU of 6c5w by Molmil](/molmil-images/mine/6c5w) | Crystal structure of the mitochondrial calcium uniporter | Descriptor: | CALCIUM ION, calcium uniporter, nanobody | Authors: | Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L. | Deposit date: | 2018-01-17 | Release date: | 2018-07-11 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (3.10010242 Å) | Cite: | X-ray and cryo-EM structures of the mitochondrial calcium uniporter. Nature, 559, 2018
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7LT0
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![BU of 7lt0 by Molmil](/molmil-images/mine/7lt0) | Hsp90a N-terminal inhibitor | Descriptor: | (1,3-dihydro-2H-isoindol-2-yl){3-[(3,4-dimethylphenyl)sulfanyl]-4-hydroxyphenyl}methanone, Heat shock protein HSP 90-alpha | Authors: | Balch, M, Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-02-18 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Selective Inhibition of the Hsp90 alpha Isoform. Angew.Chem.Int.Ed.Engl., 60, 2021
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5CZ5
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![BU of 5cz5 by Molmil](/molmil-images/mine/5cz5) | |
5D0W
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![BU of 5d0w by Molmil](/molmil-images/mine/5d0w) | Yeast 20S proteasome beta5-T1S mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-08-03 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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6TDO
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![BU of 6tdo by Molmil](/molmil-images/mine/6tdo) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket. | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-09 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDQ
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![BU of 6tdq by Molmil](/molmil-images/mine/6tdq) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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7LMT
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![BU of 7lmt by Molmil](/molmil-images/mine/7lmt) | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a | Descriptor: | Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide | Authors: | Lei, M, Freitas, R.F, Dong, A, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2021-02-05 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound MRT10241866a To Be Published
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6TDS
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![BU of 6tds by Molmil](/molmil-images/mine/6tds) | Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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5LA3
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![BU of 5la3 by Molmil](/molmil-images/mine/5la3) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2016-06-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases. Nat Commun, 8, 2017
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6C8U
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![BU of 6c8u by Molmil](/molmil-images/mine/6c8u) | Solution structure of Musashi2 RRM1 | Descriptor: | RNA-binding protein Musashi homolog 2 | Authors: | Xing, M, Lan, L, Douglas, J.T, Gao, P, Hanzlik, R.P, Xu, L. | Deposit date: | 2018-01-25 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 2019
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8ODN
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![BU of 8odn by Molmil](/molmil-images/mine/8odn) | |
5UIY
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![BU of 5uiy by Molmil](/molmil-images/mine/5uiy) | Structure of Bromodomain from human BAZ1A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain adjacent to zinc finger domain protein 1A | Authors: | Oppikofer, M, Sudhamsu, J. | Deposit date: | 2017-01-16 | Release date: | 2017-07-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | Non-canonical reader modules of BAZ1A promote recovery from DNA damage. Nat Commun, 8, 2017
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