7AJZ
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![BU of 7ajz by Molmil](/molmil-images/mine/7ajz) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) | 分子名称: | 1,2-ETHANEDIOL, L,D-transpeptidase YcbB, NAG-NAM(tetrapeptide), ... | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) To Be Published
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7AEZ
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7AFZ
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![BU of 7afz by Molmil](/molmil-images/mine/7afz) | L1 metallo-b-lactamase with compound EBL-1306 | 分子名称: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J, Brem, J. | 登録日 | 2020-09-21 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors. Nat.Chem., 14, 2022
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7AGZ
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![BU of 7agz by Molmil](/molmil-images/mine/7agz) | BsrV no-histagged | 分子名称: | Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ... | 著者 | Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A. | 登録日 | 2020-09-23 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity. Comput Struct Biotechnol J, 19, 2021
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6TDB
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![BU of 6tdb by Molmil](/molmil-images/mine/6tdb) | Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide | 分子名称: | 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ... | 著者 | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | 登録日 | 2019-11-08 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide To Be Published
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5MZY
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![BU of 5mzy by Molmil](/molmil-images/mine/5mzy) | Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog | 分子名称: | (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ... | 著者 | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | 登録日 | 2017-02-02 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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6T28
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![BU of 6t28 by Molmil](/molmil-images/mine/6t28) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | 分子名称: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | 著者 | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-10-08 | 公開日 | 2019-11-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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7AJO
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![BU of 7ajo by Molmil](/molmil-images/mine/7ajo) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate | 分子名称: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate To Be Published
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5MZ4
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![BU of 5mz4 by Molmil](/molmil-images/mine/5mz4) | Crystal Structure of full-lengh CSFV NS3/4A | 分子名称: | Genome polyprotein,Genome polyprotein | 著者 | Tortorici, M.A, Rey, F.A. | 登録日 | 2017-01-30 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.048 Å) | 主引用文献 | A positive-strand RNA virus uses alternative protein-protein interactions within a viral protease/cofactor complex to switch between RNA replication and virion morphogenesis. PLoS Pathog., 13, 2017
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6T2E
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![BU of 6t2e by Molmil](/molmil-images/mine/6t2e) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | 分子名称: | E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm | 著者 | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | 登録日 | 2019-10-08 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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7AJX
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![BU of 7ajx by Molmil](/molmil-images/mine/7ajx) | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem | 分子名称: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | 著者 | Batuecas, M.T, Hermoso, J.A. | 登録日 | 2020-09-29 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem To Be Published
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5N4B
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![BU of 5n4b by Molmil](/molmil-images/mine/5n4b) | Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant | 分子名称: | Alpha-amanitin proprotein, Prolyl oligopeptidase | 著者 | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | 登録日 | 2017-02-10 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
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7AUV
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![BU of 7auv by Molmil](/molmil-images/mine/7auv) | The structure of ERK2 in complex with dual inhibitor ASTX029 | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | 著者 | O'Reilly, M. | 登録日 | 2020-11-03 | 公開日 | 2021-10-06 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK. Mol.Cancer Ther., 20, 2021
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5N00
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![BU of 5n00 by Molmil](/molmil-images/mine/5n00) | Crystal structure of the decarboxylase AibA/AibB C56A variant | 分子名称: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | 著者 | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | 登録日 | 2017-02-02 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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6T36
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![BU of 6t36 by Molmil](/molmil-images/mine/6t36) | Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide | 分子名称: | BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3 | 著者 | Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C. | 登録日 | 2019-10-10 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein. Sci Rep, 11, 2021
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5N5F
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6T29
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![BU of 6t29 by Molmil](/molmil-images/mine/6t29) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | 分子名称: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | 著者 | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-10-08 | 公開日 | 2019-11-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | 主引用文献 | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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7AFY
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6T2F
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![BU of 6t2f by Molmil](/molmil-images/mine/6t2f) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | 分子名称: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am | 著者 | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | 登録日 | 2019-10-08 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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6T2J
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![BU of 6t2j by Molmil](/molmil-images/mine/6t2j) | dAb3 | 分子名称: | PHOSPHATE ION, Single domain antibody | 著者 | Tsai, Y.-C.I, House, D, Rittinger, K. | 登録日 | 2019-10-08 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
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7AKQ
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6T2P
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![BU of 6t2p by Molmil](/molmil-images/mine/6t2p) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | 著者 | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | 登録日 | 2019-10-09 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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7AJ9
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6T4D
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![BU of 6t4d by Molmil](/molmil-images/mine/6t4d) | Crystal structure of Plasmodium falciparum Morn1 | 分子名称: | Morn1, ZINC ION | 著者 | Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K. | 登録日 | 2019-10-13 | 公開日 | 2020-11-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats. Plos One, 15, 2020
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5NFQ
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![BU of 5nfq by Molmil](/molmil-images/mine/5nfq) | Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | 著者 | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | 登録日 | 2017-03-15 | 公開日 | 2018-05-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments. Front Bioeng Biotechnol, 6, 2018
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