6RJ5
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![BU of 6rj5 by Molmil](/molmil-images/mine/6rj5) | Crystal structure of PHGDH in complex with compound 39 | 分子名称: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | 登録日 | 2019-04-26 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5LZG
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![BU of 5lzg by Molmil](/molmil-images/mine/5lzg) | Cholera toxin El Tor B-pentamer in complex with inhibitor PC262 | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Heggelund, J.E, Martinsen, T, Krengel, U. | 登録日 | 2016-09-29 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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6ZT5
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![BU of 6zt5 by Molmil](/molmil-images/mine/6zt5) | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | 分子名称: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | 著者 | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | 登録日 | 2020-07-17 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6RJZ
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![BU of 6rjz by Molmil](/molmil-images/mine/6rjz) | Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | 登録日 | 2019-04-29 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RK5
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![BU of 6rk5 by Molmil](/molmil-images/mine/6rk5) | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | 分子名称: | Methionine adenosyltransferase | 著者 | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | 登録日 | 2019-04-30 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. J.Mol.Biol., 431, 2019
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6RL0
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![BU of 6rl0 by Molmil](/molmil-images/mine/6rl0) | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | 登録日 | 2019-04-30 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Functional assembly of nitrous oxide reductase provides insights into copper site maturation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5M5B
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![BU of 5m5b by Molmil](/molmil-images/mine/5m5b) | Crystal structure of Zika virus NS5 methyltransferase | 分子名称: | CHLORIDE ION, GLYCEROL, NS5 methyltransferase, ... | 著者 | Barral, K, Ortiz Lombardia, M, Coutard, B, Decroly, E, Lichiere, J. | 登録日 | 2016-10-21 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Zika Virus Methyltransferase: Structure and Functions for Drug Design Perspectives. J. Virol., 91, 2017
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7A6O
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6ZT3
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![BU of 6zt3 by Molmil](/molmil-images/mine/6zt3) | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | 分子名称: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | 著者 | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | 登録日 | 2020-07-17 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT4
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![BU of 6zt4 by Molmil](/molmil-images/mine/6zt4) | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | 分子名称: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | 著者 | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | 登録日 | 2020-07-17 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6RSJ
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6RO8
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![BU of 6ro8 by Molmil](/molmil-images/mine/6ro8) | The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain | 分子名称: | Cytochrome P450 RhF, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ciaramella, A, Catucci, G, Gilardi, G, Di Nardo, G. | 登録日 | 2019-05-10 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of bacterial CYP116B5 heme domain: New insights on class VII P450s structural flexibility and peroxygenase activity. Int.J.Biol.Macromol., 140, 2019
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6RSP
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![BU of 6rsp by Molmil](/molmil-images/mine/6rsp) | |
7A6P
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6RKM
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![BU of 6rkm by Molmil](/molmil-images/mine/6rkm) | Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-04-30 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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5M4F
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![BU of 5m4f by Molmil](/molmil-images/mine/5m4f) | Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions | 分子名称: | 4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.519 Å) | 主引用文献 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
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7A6X
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![BU of 7a6x by Molmil](/molmil-images/mine/7a6x) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 56 | 分子名称: | (2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | 登録日 | 2020-08-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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7AD6
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![BU of 7ad6 by Molmil](/molmil-images/mine/7ad6) | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | 著者 | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | 登録日 | 2020-09-14 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
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7A0D
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![BU of 7a0d by Molmil](/molmil-images/mine/7a0d) | The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ... | 著者 | Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G. | 登録日 | 2020-08-07 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Diselenide crosslinks for enhanced and simplified oxidative protein folding Commun Chem, 4, 2021
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7AD7
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![BU of 7ad7 by Molmil](/molmil-images/mine/7ad7) | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | 登録日 | 2020-09-14 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
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5M1N
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![BU of 5m1n by Molmil](/molmil-images/mine/5m1n) | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Manganese | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, Phage terminase large subunit, ... | 著者 | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | 登録日 | 2016-10-09 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism. Nucleic Acids Res., 45, 2017
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6RL4
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![BU of 6rl4 by Molmil](/molmil-images/mine/6rl4) | Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-05-01 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RR4
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![BU of 6rr4 by Molmil](/molmil-images/mine/6rr4) | Structure of 25% reduced KpDyP | 分子名称: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | 著者 | Pfanzagl, V, Beale, J, Hofbauer, S. | 登録日 | 2019-05-17 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6RRK
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![BU of 6rrk by Molmil](/molmil-images/mine/6rrk) | Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | 分子名称: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | 著者 | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-20 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
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7A6W
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![BU of 7a6w by Molmil](/molmil-images/mine/7a6w) | Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 33-(Z) | 分子名称: | (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | 登録日 | 2020-08-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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