8DQ2
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![BU of 8dq2 by Molmil](/molmil-images/mine/8dq2) | X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7 | Descriptor: | CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ... | Authors: | Jung, J.J, Lin, C.-Y, Boal, A.K. | Deposit date: | 2022-07-18 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer. Nature, 618, 2023
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6CFO
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![BU of 6cfo by Molmil](/molmil-images/mine/6cfo) | HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ... | Authors: | ARJUNAN, P, WHITLEY, M.J, FUREY, W. | Deposit date: | 2018-02-15 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase. J. Biol. Chem., 293, 2018
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2FQ6
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8FNR
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![BU of 8fnr by Molmil](/molmil-images/mine/8fnr) | |
8FNS
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7E3Z
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![BU of 7e3z by Molmil](/molmil-images/mine/7e3z) | Non-Ribosomal Peptide Synthetases, Thioesterase | Descriptor: | CHLORIDE ION, thioesterase | Authors: | Jung, Y.E, Cha, S.S. | Deposit date: | 2021-02-09 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Unprecedented Noncanonical Features of the Nonlinear Nonribosomal Peptide Synthetase Assembly Line for WS9326A Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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7EPG
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7EPI
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7EPJ
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1I3G
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![BU of 1i3g by Molmil](/molmil-images/mine/1i3g) | CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ANTIBODY FV FRAGMENT | Authors: | Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A. | Deposit date: | 2001-02-15 | Release date: | 2001-10-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries. J.Mol.Biol., 309, 2001
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6VJW
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![BU of 6vjw by Molmil](/molmil-images/mine/6vjw) | Crystal structure of WT hMBD4 complexed with T:G mismatch DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), Methyl-CpG-binding domain protein 4 | Authors: | Jung, H, Lee, S. | Deposit date: | 2020-01-17 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Catalytic mechanism of the mismatch-specific DNA glycosylase methyl-CpG-binding domain 4. Biochem.J., 477, 2020
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2MXQ
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![BU of 2mxq by Molmil](/molmil-images/mine/2mxq) | The solution structure of DEFA1, a highly potent antimicrobial peptide from the horse | Descriptor: | Paneth cell-specific alpha-defensin 1 | Authors: | Jung, S, Michalek, M, Shomali, M, Soennichsen, F.D. | Deposit date: | 2015-01-12 | Release date: | 2015-04-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure and functional studies of the highly potent equine antimicrobial peptide DEFA1. Biochem.Biophys.Res.Commun., 459, 2015
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3MWM
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1MQA
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![BU of 1mqa by Molmil](/molmil-images/mine/1mqa) | Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | Descriptor: | Integrin alpha-L | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
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1MQ9
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![BU of 1mq9 by Molmil](/molmil-images/mine/1mq9) | Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact | Descriptor: | Integrin alpha-L, MANGANESE (II) ION | Authors: | Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
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5I2Q
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![BU of 5i2q by Molmil](/molmil-images/mine/5i2q) | Structure of EF-hand containing protein | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | Deposit date: | 2016-02-09 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1. Sci Rep, 6, 2016
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5I2O
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![BU of 5i2o by Molmil](/molmil-images/mine/5i2o) | Structure of EF-hand containing protein | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | Deposit date: | 2016-02-09 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1. Sci Rep, 6, 2016
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4X21
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![BU of 4x21 by Molmil](/molmil-images/mine/4x21) | The MAP kinase JNK3 as target for halogen bonding | Descriptor: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | Authors: | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | Deposit date: | 2014-11-25 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137, 2015
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6U7V
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![BU of 6u7v by Molmil](/molmil-images/mine/6u7v) | xRRM structure of spPof8 | Descriptor: | NITRATE ION, Protein pof8 | Authors: | Kim, J.-K, Hu, X, Yu, C, Jun, H.-I, Liu, J, Sankaran, B, Huang, L, Qiao, F. | Deposit date: | 2019-09-03 | Release date: | 2020-09-09 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Quality-Control Mechanism for Telomerase RNA Folding in the Cell. Cell Rep, 33, 2020
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2B1P
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![BU of 2b1p by Molmil](/molmil-images/mine/2b1p) | inhibitor complex of JNK3 | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3 Bioorg.Med.Chem.Lett., 15, 2005
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2V0V
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![BU of 2v0v by Molmil](/molmil-images/mine/2v0v) | Crystal Structure of Rev-Erb beta | Descriptor: | ORPHAN NUCLEAR RECEPTOR NR1D2 | Authors: | Woo, E.-J, Jeong, D.G, Lim, M.-Y, Jun Kim, S, Eon Ryu, S. | Deposit date: | 2007-05-19 | Release date: | 2007-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight Into the Constitutive Repression Function of the Nuclear Receptor Rev-Erbbeta J.Mol.Biol., 373, 2007
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5I2L
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![BU of 5i2l by Molmil](/molmil-images/mine/5i2l) | Structure of EF-hand containing protein | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | Deposit date: | 2016-02-09 | Release date: | 2016-12-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1. Sci Rep, 6, 2016
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8ENJ
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8ELC
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![BU of 8elc by Molmil](/molmil-images/mine/8elc) | Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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5G2A
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![BU of 5g2a by Molmil](/molmil-images/mine/5g2a) | The crystal structure of light-driven chloride pump ClR at pH 6.0 with Bromide ion. | Descriptor: | BROMIDE ION, CHLORIDE PUMPING RHODOPSIN, RETINAL | Authors: | Kim, K.L, Kwon, S.K, Jun, S.H, Cha, J.S, Kim, H.Y, Kim, J.H, Cho, H.S. | Deposit date: | 2016-04-07 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif. Nat.Commun., 7, 2016
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