6UWI
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![BU of 6uwi by Molmil](/molmil-images/mine/6uwi) | Crystal structure of the Clostridium difficile translocase CDTb | Descriptor: | ADP-ribosyltransferase binding component, CALCIUM ION | Authors: | Pozharski, E. | Deposit date: | 2019-11-05 | Release date: | 2020-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly. Proc.Natl.Acad.Sci.USA, 117, 2020
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8PMP
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![BU of 8pmp by Molmil](/molmil-images/mine/8pmp) | Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | Authors: | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | Deposit date: | 2023-06-29 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex. Cell Rep, 43, 2024
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6OWR
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![BU of 6owr by Molmil](/molmil-images/mine/6owr) | NMR solution structure of YfiD | Descriptor: | Autonomous glycyl radical cofactor | Authors: | Bowman, S.E.J, Drennan, C.L. | Deposit date: | 2019-05-10 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and biochemical characterization of a spare part protein that restores activity to an oxygen-damaged glycyl radical enzyme. J.Biol.Inorg.Chem., 24, 2019
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6OZ3
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6YAM
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![BU of 6yam by Molmil](/molmil-images/mine/6yam) | Mammalian 48S late-stage translation initiation complex (LS48S+eIF3 IC) with beta-globin mRNA | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ... | Authors: | Bochler, A, Simonetti, A, Guca, E, Hashem, Y. | Deposit date: | 2020-03-12 | Release date: | 2020-04-08 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Insights into the Mammalian Late-Stage Initiation Complexes. Cell Rep, 31, 2020
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6M4I
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8TQD
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![BU of 8tqd by Molmil](/molmil-images/mine/8tqd) | NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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1C3E
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![BU of 1c3e by Molmil](/molmil-images/mine/1c3e) | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | Descriptor: | 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | Authors: | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | Deposit date: | 1999-07-27 | Release date: | 1999-12-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid. Biochemistry, 38, 1999
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5MG1
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![BU of 5mg1 by Molmil](/molmil-images/mine/5mg1) | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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6XAV
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![BU of 6xav by Molmil](/molmil-images/mine/6xav) | CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex bound with NusG | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Hao, Z.T, Kim, H.K, Walz, T, Nudler, E. | Deposit date: | 2020-06-04 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Pre-termination Transcription Complex: Structure and Function. Mol.Cell, 81, 2021
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1C2T
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![BU of 1c2t by Molmil](/molmil-images/mine/1c2t) | NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. | Descriptor: | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | Authors: | Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A. | Deposit date: | 1999-07-26 | Release date: | 2000-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid. Biochemistry, 38, 1999
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8R02
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![BU of 8r02 by Molmil](/molmil-images/mine/8r02) | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | Descriptor: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | Authors: | Milani, M, Fagnani, E. | Deposit date: | 2023-10-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface. Comput Struct Biotechnol J, 23, 2024
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8R0J
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![BU of 8r0j by Molmil](/molmil-images/mine/8r0j) | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ... | Authors: | Milani, M, Fagnani, E. | Deposit date: | 2023-10-31 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface. Comput Struct Biotechnol J, 23, 2024
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7NTJ
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![BU of 7ntj by Molmil](/molmil-images/mine/7ntj) | PALS1 PDZ1 domain with SARS-CoV-1_E PBM complex | Descriptor: | Envelope small membrane protein, MAGUK p55 subfamily member 5 | Authors: | Javorsky, A, Kvansakul, M. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain. Commun Biol, 4, 2021
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7O2V
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![BU of 7o2v by Molmil](/molmil-images/mine/7o2v) | AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8 | Descriptor: | 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A | Authors: | Garau, G. | Deposit date: | 2021-03-31 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile. Eur.J.Med.Chem., 226, 2021
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4Y4M
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![BU of 4y4m by Molmil](/molmil-images/mine/4y4m) | Thiazole synthase Thi4 from Methanocaldococcus jannaschii | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Putative ribose 1,5-bisphosphate isomerase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R)-2,3,5-tris(oxidanyl)-4-oxidanylidene-pentyl] hydrogen phosphate | Authors: | Zhang, X, Ealick, S.E. | Deposit date: | 2015-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases. Biochemistry, 55, 2016
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8QFY
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6Q9C
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![BU of 6q9c by Molmil](/molmil-images/mine/6q9c) | Crystal structure of Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF bound to NADH under anaerobic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-17 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9G
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![BU of 6q9g by Molmil](/molmil-images/mine/6q9g) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129D and NuoF bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6Q9J
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![BU of 6q9j by Molmil](/molmil-images/mine/6q9j) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE G129S and NuoF bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6X4Y
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![BU of 6x4y by Molmil](/molmil-images/mine/6x4y) | Mfd-bound E.coli RNA polymerase elongation complex - IV state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-24 | Release date: | 2021-02-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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8A9Z
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![BU of 8a9z by Molmil](/molmil-images/mine/8a9z) | Tubulin-[1,2]oxazoloisoindole-2e complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | Deposit date: | 2022-06-29 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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5HL4
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![BU of 5hl4 by Molmil](/molmil-images/mine/5hl4) | Acoustic injectors for drop-on-demand serial femtosecond crystallography | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography. Structure, 24, 2016
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6X4W
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![BU of 6x4w by Molmil](/molmil-images/mine/6x4w) | Mfd-bound E.coli RNA polymerase elongation complex - III state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-24 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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5HQD
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![BU of 5hqd by Molmil](/molmil-images/mine/5hqd) | Acoustic injectors for drop-on-demand serial femtosecond crystallography | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | Deposit date: | 2016-01-21 | Release date: | 2016-02-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography. Structure, 24, 2016
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