6PFE
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![BU of 6pfe by Molmil](/molmil-images/mine/6pfe) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.812 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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8ATJ
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![BU of 8atj by Molmil](/molmil-images/mine/8atj) | Crystal Structure of Shank2-SAM domain | 分子名称: | CHLORIDE ION, FORMIC ACID, Isoform 4 of SH3 and multiple ankyrin repeat domains protein 2, ... | 著者 | Bento, I, Gracia Alai, M, Kreienkamp, J.-H. | 登録日 | 2022-08-23 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.117 Å) | 主引用文献 | Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans. Mol Psychiatry, 2022
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2LXO
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![BU of 2lxo by Molmil](/molmil-images/mine/2lxo) | Identification of the Structural Traits Mediating the Antimicrobial Activity of a Chimeric Peptide of HBD2 and HBD3 | 分子名称: | Chimeric Peptide | 著者 | Spudy, B, Soennichsen, F.D, Waetzig, G.H, Grotzinger, J, Jung, S. | 登録日 | 2012-08-30 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Identification of structural traits that increase the antimicrobial activity of a chimeric peptide of human beta-defensins 2 and 3. Biochem.Biophys.Res.Commun., 427, 2012
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8B10
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![BU of 8b10 by Molmil](/molmil-images/mine/8b10) | Crystal Structure of Shank2-SAM mutant domain - L1800W | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bento, I, Gracia Alai, M, Kreienkamp, J.-H. | 登録日 | 2022-09-08 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans. Mol Psychiatry, 2022
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4XSC
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8B14
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![BU of 8b14 by Molmil](/molmil-images/mine/8b14) | T5 Receptor Binding Protein pb5 in complex with its E. coli receptor FhuA | 分子名称: | DECYLAMINE-N,N-DIMETHYL-N-OXIDE, FhuA iron-ferrichrome transporter, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate, ... | 著者 | Degroux, S, Effantin, G, Linares, R, Schoehn, G, Breyton, C. | 登録日 | 2022-09-09 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Deciphering Bacteriophage T5 Host Recognition Mechanism and Infection Trigger. J.Virol., 97, 2023
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6PFH
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![BU of 6pfh by Molmil](/molmil-images/mine/6pfh) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanophenyl)acetic acid. | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | 著者 | Czyzyk, D.C, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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1KEE
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![BU of 1kee by Molmil](/molmil-images/mine/1kee) | Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Carbamoyl-phosphate synthetase large chain, ... | 著者 | Miles, B.W, Thoden, J.B, Holden, H.M, Raushel, F.M. | 登録日 | 2001-11-15 | 公開日 | 2001-12-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inactivation of the amidotransferase activity of carbamoyl phosphate synthetase by the antibiotic acivicin. J.Biol.Chem., 277, 2002
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6PIF
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![BU of 6pif by Molmil](/molmil-images/mine/6pif) | V. cholerae TniQ-Cascade complex, open conformation | 分子名称: | Cas7, type I-F CRISPR-associated protein, TniQ monomer 1, ... | 著者 | Halpin-Healy, T, Klompe, S, Sternberg, S.H. | 登録日 | 2019-06-26 | 公開日 | 2019-10-02 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of DNA targeting by a transposon-encoded CRISPR-Cas system. Nature, 577, 2020
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2N63
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![BU of 2n63 by Molmil](/molmil-images/mine/2n63) | Structure of C4VG16KRKP | 分子名称: | PENTANOIC ACID, antimicrobial peptide C4VG16KRKP | 著者 | Bhunia, A, Datta, A. | 登録日 | 2015-08-11 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-24 | 実験手法 | SOLUTION NMR | 主引用文献 | Designing potent antimicrobial peptides by disulphide linked dimerization and N-terminal lipidation to increase antimicrobial activity and membrane perturbation: Structural insights into lipopolysaccharide binding. J Colloid Interface Sci, 461, 2016
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2N8C
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6PF3
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![BU of 6pf3 by Molmil](/molmil-images/mine/6pf3) | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFD
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![BU of 6pfd by Molmil](/molmil-images/mine/6pfd) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.324 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PF8
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![BU of 6pf8 by Molmil](/molmil-images/mine/6pf8) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.533 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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2N08
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![BU of 2n08 by Molmil](/molmil-images/mine/2n08) | NMR structure of a short hydrophobic 11mer peptide in 25 mM SDS solution | 分子名称: | Short hydrophobic peptide with cyclic constraints | 著者 | Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P. | 登録日 | 2015-03-04 | 公開日 | 2015-04-15 | 最終更新日 | 2015-05-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J.Med.Chem., 58, 2015
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6PF9
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![BU of 6pf9 by Molmil](/molmil-images/mine/6pf9) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid. | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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2MTU
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![BU of 2mtu by Molmil](/molmil-images/mine/2mtu) | Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-trans dicarba RgIA | 分子名称: | Dicarba Analogues of alpha-Conotoxin RgIA | 著者 | Chhabra, S, Robinson, S.D, Norton, R.S. | 登録日 | 2014-09-01 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets. J.Med.Chem., 57, 2014
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2NAY
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6PB6
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6PF6
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![BU of 6pf6 by Molmil](/molmil-images/mine/6pf6) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, Thymidylate synthase,Thymidylate synthase | 著者 | Czyzyk, D.L, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFG
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![BU of 6pfg by Molmil](/molmil-images/mine/6pfg) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.706 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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3U26
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![BU of 3u26 by Molmil](/molmil-images/mine/3u26) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48 | 分子名称: | PF00702 domain protein | 著者 | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2011-09-30 | 公開日 | 2011-11-23 | 最終更新日 | 2022-03-02 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
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2MTT
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![BU of 2mtt by Molmil](/molmil-images/mine/2mtt) | Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-cis dicarba RgIA | 分子名称: | Dicarba Analogues of alpha-Conotoxin RgIA | 著者 | Chhabra, S, Robinson, S.D, Norton, R.S. | 登録日 | 2014-08-31 | 公開日 | 2014-11-26 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets. J.Med.Chem., 57, 2014
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2N09
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![BU of 2n09 by Molmil](/molmil-images/mine/2n09) | NMR structure of a short hydrophobic 11mer peptide in DMSO-d6/H2O (1:3) solution | 分子名称: | Short hydrophobic peptide with cyclic constraints | 著者 | Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P. | 登録日 | 2015-03-04 | 公開日 | 2015-04-15 | 最終更新日 | 2015-05-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J.Med.Chem., 58, 2015
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3M3B
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![BU of 3m3b by Molmil](/molmil-images/mine/3m3b) | The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Zn(II)-I107E FeBMb (Zn(II) binding to FeB site) | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION | 著者 | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | 登録日 | 2010-03-08 | 公開日 | 2010-05-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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