1XQM
 
 | | Variations on the GFP chromophore scaffold: A fragmented 5-membered heterocycle revealed in the 2.1A crystal structure of a non-fluorescent chromoprotein | | 分子名称: | ACETIC ACID, kindling fluorescent protein | | 著者 | Wilmann, P.G, Petersen, J, Devenish, R.J, Prescott, M, Rossjohn, J. | | 登録日 | 2004-10-13 | | 公開日 | 2004-11-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Variations on the GFP chromophore: A polypeptide fragmentation within the chromophore revealed in the 2.1-A crystal structure of a nonfluorescent chromoprotein from Anemonia sulcata
J.Biol.Chem., 280, 2005
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7WWF
 | | Crystal structure of BioH3 from Mycolicibacterium smegmatis | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | | 著者 | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | | 登録日 | 2022-02-12 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-01-18 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
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2XIO
 | | Structure of putative deoxyribonuclease TATDN1 isoform a | | 分子名称: | 1,2-ETHANEDIOL, NICKEL (II) ION, PUTATIVE DEOXYRIBONUCLEASE TATDN1, ... | | 著者 | Muniz, J.R.C, Cocking, R, Puranik, S, Krojer, T, Raynor, J, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Kavanagh, K.L, Oppermann, U. | | 登録日 | 2010-06-30 | | 公開日 | 2010-07-14 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Structure of Putative Deoxyribonuclease Tatdn1 Isoform A
To be Published
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5TZY
 | | GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ... | | 著者 | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | | 登録日 | 2016-11-22 | | 公開日 | 2017-06-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
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5L04
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6DXK
 | | Glucocorticoid Receptor in complex with Compound 11 | | 分子名称: | (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor | | 著者 | Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S. | | 登録日 | 2018-06-29 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
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5L41
 | | Thermolysin in complex with JC148 (MPD cryo protectant) | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | 登録日 | 2016-05-24 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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2M4M
 | | Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata | | 分子名称: | hypothetical protein | | 著者 | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Patel, H, Seidel, R.D, Chook, Y.M, Rout, M.P, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Nucleocytoplasmic Transport: a Target for Cellular Control (NPCXstals) | | 登録日 | 2013-02-07 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
To be Published
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5L18
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4KON
 | | The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NeuAcα2-6Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | | 著者 | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | 登録日 | 2013-05-12 | | 公開日 | 2013-11-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
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5DRO
 | | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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1VSM
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3AED
 | | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide | | 分子名称: | 2-iodo-N-phenylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | 著者 | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | | 登録日 | 2010-02-04 | | 公開日 | 2011-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.52 Å) | | 主引用文献 | Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
To be Published
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4A1T
 | | Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | 登録日 | 2011-09-19 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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4NGN
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4KOL
 | | The structure of hemagglutinin from avian-origin H7N9 influenza virus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | | 著者 | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | | 登録日 | 2013-05-12 | | 公開日 | 2013-11-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses.
Science, 342, 2013
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5DP4
 | | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | | 登録日 | 2015-09-12 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
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2M4N
 | | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans | | 分子名称: | Protein AFD-1, isoform a | | 著者 | Harris, R, Hillerich, B, Ahmed, M, Bonanno, J.B, Chamala, S, Evans, B, Lafleur, J, Hammonds, J, Washington, E, Stead, M, Love, J, Attonito, J, Seidel, R.D, Liddington, R.C, Weis, W.I, Nelson, W.J, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions (CELLMAT) | | 登録日 | 2013-02-07 | | 公開日 | 2013-03-20 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the putative Ras interaction domain of AFD-1, isoform a from Caenorhabditis elegans
To be Published
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2VAQ
 | | STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH INHIBITOR | | 分子名称: | (2S,3R,4S)-methyl 4-(2-(2-(1H-indol-3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate, STRICTOSIDINE SYNTHASE | | 著者 | Maresh, J, Giddings, L.A, Friedrich, A, Loris, E.A, Panjikar, S, Trout, B.L, Stoeckigt, J, Peters, B, O'Connor, S.E. | | 登録日 | 2007-09-04 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Strictosidine synthase: mechanism of a Pictet-Spengler catalyzing enzyme.
J. Am. Chem. Soc., 130, 2008
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5KIP
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5DLB
 | | Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M | | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PLATINUM (II) ION, ... | | 著者 | Chan, S, Arbing, M.A, Kim, J, Kahng, S, Sawaya, M.R, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2015-09-04 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
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5DRP
 | | Structure of the AaLpxC/LPC-023 Complex | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ... | | 著者 | Najeeb, J, Lee, C.-J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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2VID
 | | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | | 分子名称: | SERINE PROTEASE SPLB | | 著者 | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | | 登録日 | 2007-11-30 | | 公開日 | 2008-05-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln.
J.Mol.Biol., 379, 2008
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7D65
 | | Cryo-EM Structure of human CALHM5 in the presence of Ca2+ | | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | 著者 | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | 登録日 | 2020-09-29 | | 公開日 | 2020-12-23 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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5DRR
 | | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex | | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | | 登録日 | 2015-09-16 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
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