5V2O
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![BU of 5v2o by Molmil](/molmil-images/mine/5v2o) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-06 | Release date: | 2017-10-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V3B
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8RU9
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![BU of 8ru9 by Molmil](/molmil-images/mine/8ru9) | MSOX movie series dataset 1 (1.12 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-01-30 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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4W63
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![BU of 4w63 by Molmil](/molmil-images/mine/4w63) | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Pesaresi, A, Samez, S, Lamba, D. | Deposit date: | 2014-08-20 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J.Med.Chem., 59, 2016
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8RYU
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![BU of 8ryu by Molmil](/molmil-images/mine/8ryu) | MSOX movie series dataset 10 (11.5 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-09 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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8RYV
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![BU of 8ryv by Molmil](/molmil-images/mine/8ryv) | MSOX movie series dataset 10 (11.5 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-09 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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8RYR
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![BU of 8ryr by Molmil](/molmil-images/mine/8ryr) | MSOX movie series dataset 4 (4.6 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-09 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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8RYJ
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![BU of 8ryj by Molmil](/molmil-images/mine/8ryj) | MSOX movie series dataset 2 (3.45 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-08 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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8S64
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![BU of 8s64 by Molmil](/molmil-images/mine/8s64) | MSOX movie series dataset 10 (9.5 MGy) for as isolated BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110) at pH 5.5. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-26 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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8S69
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![BU of 8s69 by Molmil](/molmil-images/mine/8s69) | MSOX movie series dataset 40 (38 MGy) for as isolated BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110) at pH 5.5. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-02-26 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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5URQ
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![BU of 5urq by Molmil](/molmil-images/mine/5urq) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-12 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 To Be Published
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4URT
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![BU of 4urt by Molmil](/molmil-images/mine/4urt) | The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R. | Deposit date: | 2014-07-02 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue Neuron, 83, 2014
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9EVM
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![BU of 9evm by Molmil](/molmil-images/mine/9evm) | MSOX movie series dataset 30 (34.5 MGy) for nitrite bound BrJNiR (Cu containing nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 at pH 8. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2024-03-30 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spectroscopically validated pH-dependent MSOX movies provide detailed mechanism of copper nitrite reductases. J.Mol.Biol., 2024
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5V3P
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7NR2
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![BU of 7nr2 by Molmil](/molmil-images/mine/7nr2) | The structure of the SBP TarP_Sse in complex with coumarate | Descriptor: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NRA
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![BU of 7nra by Molmil](/molmil-images/mine/7nra) | The structure of the SBP TarP_Sse in complex with cinnamate | Descriptor: | HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NRR
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![BU of 7nrr by Molmil](/molmil-images/mine/7nrr) | The structure of the SBP TarP_Csal in complex with caffeate | Descriptor: | CAFFEIC ACID, MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-04 | Release date: | 2021-10-06 | Last modified: | 2022-01-26 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NSW
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![BU of 7nsw by Molmil](/molmil-images/mine/7nsw) | The structure of the SBP TarP_Csal in complex with coumarate | Descriptor: | 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-08 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NTD
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![BU of 7ntd by Molmil](/molmil-images/mine/7ntd) | The structure of the SBP TarP_Csal in complex with ferulate | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ... | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7NTE
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![BU of 7nte by Molmil](/molmil-images/mine/7nte) | The structure of an open conformation of the SBP TarP_Csal | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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5CRX
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![BU of 5crx by Molmil](/molmil-images/mine/5crx) | |
7O2R
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![BU of 7o2r by Molmil](/molmil-images/mine/7o2r) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3985 | Descriptor: | 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 6, ... | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | Deposit date: | 2021-03-31 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7O2P
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![BU of 7o2p by Molmil](/molmil-images/mine/7o2p) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A. | Deposit date: | 2021-03-31 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7OFZ
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![BU of 7ofz by Molmil](/molmil-images/mine/7ofz) | Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFW
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![BU of 7ofw by Molmil](/molmil-images/mine/7ofw) | Nontypeable Haemophillus influenzae SapA in complex with heme | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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