5LWD
| Thermolysin in complex with inhibitor (JC96) | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | 登録日 | 2016-09-15 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. ACS Chem. Biol., 12, 2017
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3JPN
| Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dichloro methylene triphosphate | 分子名称: | 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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3JPR
| Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dimethyl methylene triphosphate | 分子名称: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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7U3H
| GID4 in complex with compound 7 | 分子名称: | (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, Glucose-induced degradation protein 4 homolog | 著者 | Chana, C.K, Sicheri, F. | 登録日 | 2022-02-27 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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2FUC
| Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound | 分子名称: | MAGNESIUM ION, Phosphomannomutase 1 | 著者 | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | 登録日 | 2006-01-26 | 公開日 | 2006-03-21 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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2MOQ
| Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus | 分子名称: | Iron-regulated surface determinant protein B | 著者 | Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V. | 登録日 | 2014-04-29 | 公開日 | 2014-07-02 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus. Biochemistry, 53, 2014
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6ZY4
| Cryo-EM structure of MlaFEDB in complex with ADP | 分子名称: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Dong, C.J, Dong, H.H. | 登録日 | 2020-07-30 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB. Nat.Struct.Mol.Biol., 28, 2021
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5LV2
| Crystal structure of mouse CARM1 in complex with inhibitor LH1246 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | 著者 | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-09-12 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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3ANS
| Human soluble epoxide hydrolase in complex with a synthetic inhibitor | 分子名称: | 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2 | 著者 | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | 登録日 | 2010-09-08 | 公開日 | 2011-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors J.Med.Chem., 54, 2011
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6ZZ6
| Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ... | 著者 | Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J. | 登録日 | 2020-08-04 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3. Elife, 9, 2020
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7LVH
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | 分子名称: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | 著者 | Muckelbauer, J.K. | 登録日 | 2021-02-25 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
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7TZ8
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8R1F
| Monomeric E6AP-E6-p53 ternary complex | 分子名称: | Cellular tumor antigen p53, Ubiquitin-like protein SMT3,Protein E6, Ubiquitin-protein ligase E3A, ... | 著者 | Sandate, C.R, Chakraborty, D, Kater, L, Kempf, G, Thoma, N.H. | 登録日 | 2023-11-01 | 公開日 | 2023-12-06 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | 主引用文献 | Structural insights into viral hijacking of p53 by E6 and E6AP Biorxiv, 2023
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2MQP
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2MU7
| Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria | 分子名称: | 1513 MSP-1 peptide | 著者 | Espejo, F, Bermudez, A, Torres, E, Urquiza, M, Rodriguez, R, Lopez, Y, Patarroyo, M. | 登録日 | 2014-09-04 | 公開日 | 2014-11-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria. Biochem.Biophys.Res.Commun., 315, 2004
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3JT7
| Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2009-09-11 | 公開日 | 2010-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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2FYN
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3JSE
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7TIT
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7QIR
| CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | 分子名称: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | 著者 | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | 登録日 | 2021-12-15 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. Rsc Chem Biol, 3, 2022
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2MWG
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5M2Y
| Structure of TssK C-terminal domain from E. coli T6SS | 分子名称: | TssK C | 著者 | Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A, Legrand, P. | 登録日 | 2016-10-13 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex. Nat Microbiol, 2, 2017
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6ZLT
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2YBR
| Crystal structure of the human derived single chain antibody fragment (scFv) 9004G in complex with Cn2 toxin from the scorpion Centruroides noxius Hoffmann | 分子名称: | BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT 9004G | 著者 | Canul-Tec, J.C, Riano-Umbarila, L, Rudino-Pinera, E, Becerril, B, Possani, L.D, Torres-Larios, A. | 登録日 | 2011-03-09 | 公開日 | 2011-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural Basis of Neutralization of the Major Toxic Component from the Scorpion Centruroides Noxius Hoffmann by a Human-Derived Single Chain Antibody Fragment J.Biol.Chem., 286, 2011
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2YBM
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