6MVA
 
 | | LDHA structure in complex with inhibitor 14 | | 分子名称: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Eigenbrot, C.E, Ultsch, M, Wei, B. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
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2ZLC
 | | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure | | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Coactivator peptide DRIP, Vitamin D3 receptor | | 著者 | Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N. | | 登録日 | 2008-04-04 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure
Bioorg.Med.Chem., 16, 2008
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | 登録日 | 2018-03-23 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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2ZM5
 | | Crystal structure of tRNA modification enzyme MiaA in the complex with tRNA(Phe) | | 分子名称: | MAGNESIUM ION, tRNA delta(2)-isopentenylpyrophosphate transferase, tRNA(Phe) | | 著者 | Sakai, J, Yao, M, Chimnaronk, S, Tanaka, I. | | 登録日 | 2008-04-11 | | 公開日 | 2009-04-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Snapshots of dynamics in synthesizing N(6)-isopentenyladenosine at the tRNA anticodon
Biochemistry, 48, 2009
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1T3M
 | | Structure of the isoaspartyl peptidase with L-asparaginase activity from E. coli | | 分子名称: | NITRATE ION, Putative L-asparaginase, SODIUM ION | | 著者 | Prahl, A, Pazgier, M, Hejazi, M, Lockau, W, Lubkowski, J. | | 登録日 | 2004-04-27 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure of the isoaspartyl peptidase with L-asparaginase activity from Escherichia coli.
Acta Crystallogr.,Sect.D, 60, 2004
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2ZKA
 | | Urate oxidase complexed with 8-azaxanthine under 1.0 MPa oxygen pressure | | 分子名称: | 8-AZAXANTHINE, OXYGEN MOLECULE, SODIUM ION, ... | | 著者 | Colloc'h, N, Gabison, L, Chiadmi, M, Abraini, J.H, Prange, T. | | 登録日 | 2008-03-13 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Oxygen pressurized X-ray crystallography: probing the dioxygen binding site in cofactorless urate oxidase and implications for its catalytic mechanism.
Biophys.J., 95, 2008
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4KJS
 | | Structure of native YfkE | | 分子名称: | cation exchanger YfkE | | 著者 | Wu, M, Tong, S, Zheng, L. | | 登録日 | 2013-05-03 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3UPF
 | | Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023 | | 分子名称: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, RNA-dependent RNA polymerase, SULFATE ION | | 著者 | Milani, M, Mastrangelo, E, Bolognesi, M. | | 登録日 | 2011-11-18 | | 公開日 | 2012-05-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases.
J.Mol.Biol., 419, 2012
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4KM6
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3P4D
 | | Alternatingly modified 2'Fluoro RNA octamer f/rC4G4 | | 分子名称: | 5'-R(*(CFZ)P*CP*(CFZ)P*CP*(GF2)P*GP*(GF2)P*G)-3' | | 著者 | Pallan, P.S, Greene, E.M, Jicman, P.A, Pandey, R.K, Manoharan, M, Rozners, E, Egli, M. | | 登録日 | 2010-10-06 | | 公開日 | 2011-01-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA.
Nucleic Acids Res., 39, 2011
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6NU5
 | | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-cysteine | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | 著者 | Srivastava, D, Nandi, S, Dey, M. | | 登録日 | 2019-01-30 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2.
Biochemistry, 58, 2019
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4O1D
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | 分子名称: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.705 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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6NUJ
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | 登録日 | 2015-07-24 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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6NVM
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6NUX
 | | CD1a-lipid binary complex | | 分子名称: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | | 登録日 | 2019-02-03 | | 公開日 | 2020-01-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Human T cell response to CD1a and contact dermatitis allergens in botanical extracts and commercial skin care products.
Sci Immunol, 5, 2020
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6HTG
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | | 分子名称: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-04 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.939 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6GO3
 | | TdT chimera (Loop1 of pol mu) - apoenzyme | | 分子名称: | DNA nucleotidylexotransferase,DNA-directed DNA/RNA polymerase mu,DNA nucleotidylexotransferase | | 著者 | Loc'h, J, Gerodimos, C.A, Rosario, S, Lieber, M.R, Delarue, M. | | 登録日 | 2018-06-01 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural evidence for an intransbase selection mechanism involving Loop1 in polymerase mu at an NHEJ double-strand break junction.
J.Biol.Chem., 294, 2019
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6HTZ
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | | 分子名称: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-10-05 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HUB
 | | Yeast 20S proteasome with human beta2c (S171G) in complex with 16 | | 分子名称: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-05 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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6GVL
 | | Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | | 分子名称: | Dystonin, Integrin beta-4 | | 著者 | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | | 登録日 | 2018-06-21 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
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6HVT
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6HWA
 | | Yeast 20S proteasome in complex with 43 | | 分子名称: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2018-10-11 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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6O0Z
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ... | | 著者 | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | 登録日 | 2019-02-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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7JY5
 | | Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | | 著者 | Pan, M, Yu, Y, Liu, L, Zhao, M. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | | 主引用文献 | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
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