7MLW
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7BLE
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![BU of 7ble by Molmil](/molmil-images/mine/7ble) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | 分子名称: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-18 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.809 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7SSO
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6Q9N
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![BU of 6q9n by Molmil](/molmil-images/mine/6q9n) | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | 分子名称: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | 著者 | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | 登録日 | 2018-12-18 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
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6W9K
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6WAN
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![BU of 6wan by Molmil](/molmil-images/mine/6wan) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA | 分子名称: | Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION | 著者 | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | 登録日 | 2020-03-25 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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6Y1U
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![BU of 6y1u by Molmil](/molmil-images/mine/6y1u) | Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin | 分子名称: | 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ... | 著者 | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | 登録日 | 2020-02-13 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
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5MFG
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![BU of 5mfg by Molmil](/molmil-images/mine/5mfg) | Designed armadillo repeat protein YIIIM5AII in complex with peptide (RR)4 | 分子名称: | (RR)4, CALCIUM ION, YIIIM5AII | 著者 | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | 登録日 | 2016-11-18 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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6O26
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![BU of 6o26 by Molmil](/molmil-images/mine/6o26) | Crystal structure of 3246 Fab in complex with circumsporozoite protein NANA | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3246 Fab heavy chain, ... | 著者 | Scally, S.W, Bosch, A, Castro, K, Murugan, R, Wardemann, H, Julien, J.P. | 登録日 | 2019-02-22 | 公開日 | 2020-03-04 | 最終更新日 | 2020-09-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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5MGD
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![BU of 5mgd by Molmil](/molmil-images/mine/5mgd) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | 登録日 | 2016-11-21 | 公開日 | 2017-04-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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7BBC
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![BU of 7bbc by Molmil](/molmil-images/mine/7bbc) | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | 登録日 | 2020-12-17 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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6Y1T
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![BU of 6y1t by Molmil](/molmil-images/mine/6y1t) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification | 分子名称: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | 著者 | Ortmayer, M, Levy, C, Green, A.P. | 登録日 | 2020-02-13 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase. Jacs Au, 1, 2021
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6O36
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6VZU
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![BU of 6vzu by Molmil](/molmil-images/mine/6vzu) | TTLL6 bound to alpha-elongation analog | 分子名称: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid, (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.B, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | 登録日 | 2020-02-28 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes. Nat.Struct.Mol.Biol., 27, 2020
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7MWQ
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![BU of 7mwq by Molmil](/molmil-images/mine/7mwq) | Structure of De Novo designed beta sheet heterodimer LHD29A53/B53 | 分子名称: | LHD29A53, LHD29B53 | 著者 | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | 登録日 | 2021-05-17 | 公開日 | 2022-01-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
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6YQX
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![BU of 6yqx by Molmil](/molmil-images/mine/6yqx) | Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | 分子名称: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | 著者 | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | 登録日 | 2020-04-18 | 公開日 | 2021-07-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.638 Å) | 主引用文献 | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach. J.Mol.Biol., 433, 2021
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7MWR
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![BU of 7mwr by Molmil](/molmil-images/mine/7mwr) | Structure of De Novo designed beta sheet heterodimer LHD101A53/B4 | 分子名称: | LHD101A54, LHD101B4, MALONATE ION | 著者 | Bera, A.K, Sahtoe, D.D, Kang, A, Praetorius, F, Baker, D. | 登録日 | 2021-05-17 | 公開日 | 2022-01-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
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8D11
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8D10
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8DDB
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![BU of 8ddb by Molmil](/molmil-images/mine/8ddb) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid | 分子名称: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | 著者 | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | 登録日 | 2022-06-17 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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5MRM
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![BU of 5mrm by Molmil](/molmil-images/mine/5mrm) | Arabidopsis thaliana IspD in complex with Isoxazole (4) | 分子名称: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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6Q0S
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5MRO
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![BU of 5mro by Molmil](/molmil-images/mine/5mro) | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | 著者 | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | 登録日 | 2016-12-23 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands. ACS Chem. Biol., 12, 2017
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8FXS
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![BU of 8fxs by Molmil](/molmil-images/mine/8fxs) | Crystal structure of human pro-TGF-beta2 in complex with Nb9 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody clone 9, Transforming growth factor beta-2 proprotein | 著者 | Le, V.Q, Springer, T.A. | 登録日 | 2023-01-25 | 公開日 | 2023-06-21 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | A specialized integrin-binding motif enables proTGF-beta 2 activation by integrin alpha V beta 6 but not alpha V beta 8. Proc.Natl.Acad.Sci.USA, 120, 2023
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6Q62
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