4G5O
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![BU of 4g5o by Molmil](/molmil-images/mine/4g5o) | Structure of LGN GL4/Galphai3(Q147L) complex | 分子名称: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | 登録日 | 2012-07-18 | 公開日 | 2012-09-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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5DR3
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![BU of 5dr3 by Molmil](/molmil-images/mine/5dr3) | Endothiapepsin in complex with fragment 333 | 分子名称: | 1,2-ETHANEDIOL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2015-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4KFN
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![BU of 4kfn by Molmil](/molmil-images/mine/4kfn) | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | 分子名称: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | 登録日 | 2013-04-27 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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1A8K
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![BU of 1a8k by Molmil](/molmil-images/mine/1a8k) | CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES | 分子名称: | HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | 著者 | Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M. | 登録日 | 1998-03-27 | 公開日 | 1999-01-13 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates. Eur.J.Biochem., 249, 1997
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1R9L
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![BU of 1r9l by Molmil](/molmil-images/mine/1r9l) | structure analysis of ProX in complex with glycine betaine | 分子名称: | Glycine betaine-binding periplasmic protein, TRIMETHYL GLYCINE, UNKNOWN ATOM OR ION | 著者 | Schiefner, A, Breed, J, Bosser, L, Kneip, S, Gade, J, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | 登録日 | 2003-10-30 | 公開日 | 2004-02-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Cation-pi Interactions as Determinants for Binding of the Compatible Solutes Glycine Betaine and Proline Betaine by the Periplasmic Ligand-binding Protein ProX from Escherichia coli J.BIOL.CHEM., 279, 2004
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7GQT
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![BU of 7gqt by Molmil](/molmil-images/mine/7gqt) | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | 著者 | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | 登録日 | 2023-10-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7GQU
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![BU of 7gqu by Molmil](/molmil-images/mine/7gqu) | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | 著者 | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | 登録日 | 2023-10-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7GQS
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![BU of 7gqs by Molmil](/molmil-images/mine/7gqs) | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | 著者 | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | 登録日 | 2023-10-19 | 公開日 | 2024-05-01 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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1BAI
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![BU of 1bai by Molmil](/molmil-images/mine/1bai) | Crystal structure of Rous sarcoma virus protease in complex with inhibitor | 分子名称: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | 著者 | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | 登録日 | 1998-04-17 | 公開日 | 1999-01-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for specificity of retroviral proteases. Biochemistry, 37, 1998
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2MIM
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8TBP
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![BU of 8tbp by Molmil](/molmil-images/mine/8tbp) | HLA-DRB1*15:01 in complex with smith antigen | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Ting, Y.T, Broury, A, Ooi, J. | 登録日 | 2023-06-29 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.12621117 Å) | 主引用文献 | Smith-specific regulatory T cells halt the progression of lupus nephritis. Nat Commun, 15, 2024
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4ARX
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![BU of 4arx by Molmil](/molmil-images/mine/4arx) | Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73 | 分子名称: | 1,3-DIAMINOPROPANE, GLYCEROL, PESTICIDAL CRYSTAL PROTEIN CRY1AC | 著者 | Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J. | 登録日 | 2012-04-27 | 公開日 | 2013-05-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac To be Published
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4G2N
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![BU of 4g2n by Molmil](/molmil-images/mine/4g2n) | Crystal structure of putative D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding from Polaromonas sp. JS6 66 | 分子名称: | CHLORIDE ION, D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding, ... | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-07-12 | 公開日 | 2012-07-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of putative D-isomer specific 2-hydroxyacid dehydrogenase, NAD-binding from Polaromonas sp. JS6 66 To be Published
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2Z8F
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![BU of 2z8f by Molmil](/molmil-images/mine/2z8f) | The galacto-N-biose-/lacto-N-biose I-binding protein (GL-BP) of the ABC transporter from Bifidobacterium longum in complex with lacto-N-tetraose | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Galacto-N-biose/lacto-N-biose I transporter substrate-binding protein, SODIUM ION, ... | 著者 | Suzuki, R, Wada, J, Katayama, T, Fushinobu, S. | 登録日 | 2007-09-05 | 公開日 | 2008-03-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and thermodynamic analyses of solute-binding Protein from Bifidobacterium longum specific for core 1 disaccharide and lacto-N-biose I. J.Biol.Chem., 283, 2008
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6EJX
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3RS1
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![BU of 3rs1 by Molmil](/molmil-images/mine/3rs1) | Mouse C-type lectin-related protein Clrg | 分子名称: | C-type lectin domain family 2 member I, CHLORIDE ION | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Stepankova, A, Koval, T, Hasek, J, Kotynkova, K, Vanek, O, Bezouska, K. | 登録日 | 2011-05-02 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties. J.Immunol., 189, 2012
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2MA2
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![BU of 2ma2 by Molmil](/molmil-images/mine/2ma2) | Solution structure of RasGRP2 EF hands bound to calcium | 分子名称: | RAS guanyl-releasing protein 2 | 著者 | Kuriyan, J, Iwig, J, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J, Wemmer, D, Roose, J. | 登録日 | 2013-06-24 | 公開日 | 2013-08-21 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1. Elife, 2, 2013
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1ASM
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4GLN
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![BU of 4gln by Molmil](/molmil-images/mine/4gln) | Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21/n | 分子名称: | D-RFX001, Vascular endothelial growth factor A | 著者 | Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H. | 登録日 | 2012-08-14 | 公開日 | 2012-09-05 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography. Proc.Natl.Acad.Sci.USA, 109, 2012
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6E7J
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![BU of 6e7j by Molmil](/molmil-images/mine/6e7j) | HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand | 分子名称: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2018-07-26 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
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7CFU
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4ARS
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![BU of 4ars by Molmil](/molmil-images/mine/4ars) | Hafnia Alvei phytase apo form | 分子名称: | ACETATE ION, GLYCEROL, HISTIDINE ACID PHOSPHATASE | 著者 | Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S. | 登録日 | 2012-04-26 | 公開日 | 2013-05-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study. Plos One, 8, 2013
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2ZD2
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1UEO
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![BU of 1ueo by Molmil](/molmil-images/mine/1ueo) | Solution structure of the [T8A]-Penaeidin-3 | 分子名称: | Penaeidin-3a | 著者 | Yang, Y, Poncet, J, Garnier, J, Zatylny, C, Bachere, E, Aumelas, A. | 登録日 | 2003-05-20 | 公開日 | 2003-10-21 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the recombinant penaeidin-3, a shrimp antimicrobial peptide J.Biol.Chem., 278, 2003
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4GCI
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![BU of 4gci by Molmil](/molmil-images/mine/4gci) | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form | 分子名称: | CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-07-30 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione, monoclinic form To be Published
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