3V7W
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![BU of 3v7w by Molmil](/molmil-images/mine/3v7w) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-azido-5'-deoxyadenosine | Descriptor: | 5'-azido-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-22 | Release date: | 2012-03-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.0102 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8M
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![BU of 3v8m by Molmil](/molmil-images/mine/3v8m) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with 5'-azido-8-bromo-5'-deoxyadenosine | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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3V8Q
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![BU of 3v8q by Molmil](/molmil-images/mine/3v8q) | Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine | Descriptor: | 5'-amino-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | Deposit date: | 2011-12-23 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound. Structure, 20, 2012
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1WBO
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![BU of 1wbo by Molmil](/molmil-images/mine/1wbo) | fragment based p38 inhibitors | Descriptor: | 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Cleasby, A, Devine, L, Gill, A, Jhoti, H. | Deposit date: | 2004-11-04 | Release date: | 2005-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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11BG
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![BU of 11bg by Molmil](/molmil-images/mine/11bg) | A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE | Descriptor: | PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | Authors: | Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L. | Deposit date: | 1999-03-11 | Release date: | 1999-11-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease. J.Mol.Biol., 293, 1999
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6P6W
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![BU of 6p6w by Molmil](/molmil-images/mine/6p6w) | Cryo-EM structure of voltage-gated sodium channel NavAb N49K/L109A/M116V/G94C/Q150C disulfide crosslinked mutant in the resting state | Descriptor: | Fusion of Maltose-binding protein and voltage-gated sodium channel NavAb | Authors: | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A. | Deposit date: | 2019-06-04 | Release date: | 2019-08-14 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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1XI1
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![BU of 1xi1 by Molmil](/molmil-images/mine/1xi1) | Phi29 DNA polymerase ssDNA complex, monoclinic crystal form | Descriptor: | 5'-D(P*TP*TP*TP*TP*T)-3', DNA polymerase, MAGNESIUM ION | Authors: | Kamtekar, S, Berman, A.J, Wang, J, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2004-09-21 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Correction of X-ray intensities from single crystals containing lattice-translocation defects Acta Crystallogr.,Sect.D, 61, 2005
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1K6F
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![BU of 1k6f by Molmil](/molmil-images/mine/1k6f) | |
7PRM
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![BU of 7prm by Molmil](/molmil-images/mine/7prm) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13 | Descriptor: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J. | Deposit date: | 2021-09-22 | Release date: | 2022-02-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging. J.Med.Chem., 65, 2022
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1LSQ
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![BU of 1lsq by Molmil](/molmil-images/mine/1lsq) | RIBONUCLEASE A WITH ASN 67 REPLACED BY A BETA-ASPARTYL RESIDUE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Esposito, L, Sica, F, Vitagliano, L, Zagari, A, Mazzarella, L. | Deposit date: | 1996-06-25 | Release date: | 1997-01-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deamidation in proteins: the crystal structure of bovine pancreatic ribonuclease with an isoaspartyl residue at position 67. J.Mol.Biol., 257, 1996
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6P6Y
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![BU of 6p6y by Molmil](/molmil-images/mine/6p6y) | Crystal structure of voltage-gated sodium channel NavAb V100C/Q150C disulfide crosslinked mutant in the activated state | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | Authors: | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-din, T.M, Wang, L, Zheng, N, Catterall, W.A. | Deposit date: | 2019-06-04 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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4YE4
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![BU of 4ye4 by Molmil](/molmil-images/mine/4ye4) | Crystal Structure of Neutralizing Antibody HJ16 in Complex with HIV-1 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HT593.1 gp120, Heavy chain human antibody HJ16, ... | Authors: | Kwong, P.D, Chen, L, Zhou, T. | Deposit date: | 2015-02-23 | Release date: | 2015-07-22 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors. Cell, 161, 2015
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6P6X
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![BU of 6p6x by Molmil](/molmil-images/mine/6p6x) | Crystal structure of voltage-gated sodium channel NavAb G94C/Q150C mutant in the activated state | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein | Authors: | Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A. | Deposit date: | 2019-06-04 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel. Cell, 178, 2019
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6PQ0
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![BU of 6pq0 by Molmil](/molmil-images/mine/6pq0) | LCP-embedded Proteinase K treated with MPD | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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6PQ4
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![BU of 6pq4 by Molmil](/molmil-images/mine/6pq4) | LCP-embedded Proteinase K treated with lipase | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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6PT2
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![BU of 6pt2 by Molmil](/molmil-images/mine/6pt2) | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | Deposit date: | 2019-07-14 | Release date: | 2019-12-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists. Sci Adv, 5, 2019
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6Q8J
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![BU of 6q8j by Molmil](/molmil-images/mine/6q8j) | Nterminal domain of human SMU1 in complex with LSP641 | Descriptor: | 1-~{tert}-butyl-3-[6-(3,5-dimethoxyphenyl)-2-[[1-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-7-yl]urea, WD40 repeat-containing protein SMU1 | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | Deposit date: | 2018-12-14 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy. Proc.Natl.Acad.Sci.USA, 116, 2019
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6Q8I
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![BU of 6q8i by Molmil](/molmil-images/mine/6q8i) | Nterminal domain of human SMU1 in complex with human REDmid | Descriptor: | Protein Red, WD40 repeat-containing protein SMU1 | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | Deposit date: | 2018-12-14 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy. Proc.Natl.Acad.Sci.USA, 116, 2019
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6ORI
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![BU of 6ori by Molmil](/molmil-images/mine/6ori) | Enterococcal surface protein, partial N-terminal region | Descriptor: | CALCIUM ION, EF0056 | Authors: | Spiegelman, L, Zhang, L, Tezcan, A, Ghosh, P. | Deposit date: | 2019-04-30 | Release date: | 2020-05-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enterococcal surface protein, partial N-terminal region (CASP target) To Be Published
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3BCP
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![BU of 3bcp by Molmil](/molmil-images/mine/3bcp) | Crystal Structure of The Swapped non covalent form of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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6QBN
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![BU of 6qbn by Molmil](/molmil-images/mine/6qbn) | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200D | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Carivenc, C, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200A To Be Published
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6Q35
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![BU of 6q35 by Molmil](/molmil-images/mine/6q35) | Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2018-12-03 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6QBR
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![BU of 6qbr by Molmil](/molmil-images/mine/6qbr) | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200D, S203D | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Guillien, M, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S200D, S203D To Be Published
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6Q8F
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![BU of 6q8f by Molmil](/molmil-images/mine/6q8f) | Nterminal domain of human SMU1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, WD40 repeat-containing protein SMU1 | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | Deposit date: | 2018-12-14 | Release date: | 2019-05-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy. Proc.Natl.Acad.Sci.USA, 116, 2019
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8FNZ
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![BU of 8fnz by Molmil](/molmil-images/mine/8fnz) | Acetylated tau repeat 1 and 2 fragment (AcR1R2) | Descriptor: | Microtubule-associated protein tau, acetylated repeat 1 and 2 fragment | Authors: | Li, L, Nguyen, A.B, Mullapudi, V, Joachimiak, L. | Deposit date: | 2022-12-29 | Release date: | 2023-06-28 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Disease-associated patterns of acetylation stabilize tau fibril formation. Structure, 31, 2023
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