4ISD
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![BU of 4isd by Molmil](/molmil-images/mine/4isd) | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione | 分子名称: | 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 | 2013-01-16 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of GLUTATHIONE TRANSFERASE homolog from BURKHOLDERIA GL BGR1, TARGET EFI-501803, with bound glutathione TO BE PUBLISHED
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6FPJ
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![BU of 6fpj by Molmil](/molmil-images/mine/6fpj) | Structure of the AMPAR GluA3 N-terminal domain bound to phosphate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Herguedas, B, Garcia-Nafria, J, Greger, I. | 登録日 | 2018-02-09 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Druggability Simulations and X-Ray Crystallography Reveal a Ligand-Binding Site in the GluA3 AMPA Receptor N-Terminal Domain. Structure, 27, 2019
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4K5A
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![BU of 4k5a by Molmil](/molmil-images/mine/4k5a) | Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | 分子名称: | Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12 | 著者 | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | 登録日 | 2013-04-14 | 公開日 | 2014-04-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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4IVF
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![BU of 4ivf by Molmil](/molmil-images/mine/4ivf) | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit | 分子名称: | CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein | 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 | 2013-01-22 | 公開日 | 2013-02-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit To be Published
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6FYK
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![BU of 6fyk by Molmil](/molmil-images/mine/6fyk) | X-Ray structure of CLK2-KD(136-496)/Indazole1 at 2.39A | 分子名称: | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine, Dual specificity protein kinase CLK2 | 著者 | Kallen, J. | 登録日 | 2018-03-12 | 公開日 | 2018-07-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
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7JWL
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![BU of 7jwl by Molmil](/molmil-images/mine/7jwl) | Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | 分子名称: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | 著者 | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | 登録日 | 2020-08-25 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Rational design of a new antibiotic class for drug-resistant infections. Nature, 597, 2021
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3C5Z
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1R2M
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![BU of 1r2m by Molmil](/molmil-images/mine/1r2m) | Atomic resolution structure of the HFBII hydrophobin: a self-assembling amphiphile | 分子名称: | Hydrophobin II, MANGANESE (II) ION | 著者 | Hakanpaa, J, Paananen, A, Askolin, S, Nakari-Setala, T, Parkkinen, T, Penttila, M, Linder, M.B, Rouvinen, J. | 登録日 | 2003-09-29 | 公開日 | 2004-01-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Atomic resolution structure of the HFBII hydrophobin, a self-assembling amphiphile. J.Biol.Chem., 279, 2004
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2OOT
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![BU of 2oot by Molmil](/molmil-images/mine/2oot) | |
4I42
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![BU of 4i42 by Molmil](/molmil-images/mine/4i42) | E.coli. 1,4-dihydroxy-2-naphthoyl coenzyme A synthase (ecMenB) in complex with 1-hydroxy-2-naphthoyl-CoA | 分子名称: | 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, 1-hydroxy-2-naphthoyl-CoA, ... | 著者 | Sun, Y, Song, H, Li, J, Li, Y, Jiang, M, Zhou, J, Guo, Z. | 登録日 | 2012-11-27 | 公開日 | 2013-05-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | 主引用文献 | Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme A synthase from the crotonase fold superfamily Plos One, 8, 2013
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6FZI
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![BU of 6fzi by Molmil](/molmil-images/mine/6fzi) | Crystal Structure of a Clostridial Dehydrogenase at 2.55 Angstroems Resolution | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Gomez, S, Querol-Garcia, J, Sanchez-Barron, G, Subias, M, Gonzalez-Alsina, A, Melchor-Tafur, C, Franco-Hidalgo, V, Alberti, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. | 登録日 | 2018-03-14 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding. Front Microbiol, 10, 2019
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3C0K
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3NWN
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![BU of 3nwn by Molmil](/molmil-images/mine/3nwn) | Crystal structure of the human KIF9 motor domain in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF9, ... | 著者 | Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-07-09 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the human KIF9 motor domain in complex with ADP To be Published
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4I48
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![BU of 4i48 by Molmil](/molmil-images/mine/4i48) | Structure of HLA-A68 complexed with an HIV Env derived peptide | 分子名称: | 9-mer peptide from Envelope glycoprotein gp160, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Niu, L, Cheng, H, Zhang, S, Tan, S, Zhang, Y, Qi, J, Liu, J, Gao, G.F. | 登録日 | 2012-11-27 | 公開日 | 2013-10-02 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Structural basis for the differential classification of HLA-A*6802 and HLA-A*6801 into the A2 and A3 supertypes Mol.Immunol., 55, 2013
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4IDI
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![BU of 4idi by Molmil](/molmil-images/mine/4idi) | Crystal Structure of Rurm1-related protein from Plasmodium Yoelii, PY06420 | 分子名称: | GLYCEROL, Oryza sativa Rurm1-related | 著者 | Wernimont, A.K, Tempel, W, Lew, J, Walker, J, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Bountra, C, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | 登録日 | 2012-12-12 | 公開日 | 2013-12-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of Rurm1-related protein from Plasmodium Yoelii, PY06420 To be Published
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4IEL
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![BU of 4iel by Molmil](/molmil-images/mine/4iel) | Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione | 分子名称: | GLUTATHIONE, Glutathione S-transferase, N-terminal domain protein, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, 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 | 2012-12-13 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structure of a glutathione s-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione To be Published
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4IFP
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![BU of 4ifp by Molmil](/molmil-images/mine/4ifp) | X-ray Crystal Structure of Human NLRP1 CARD Domain | 分子名称: | MALONATE ION, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 1, ... | 著者 | Jin, T, Curry, J, Smith, P, Jiang, J, Xiao, T. | 登録日 | 2012-12-14 | 公開日 | 2013-04-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9948 Å) | 主引用文献 | Structure of the NLRP1 caspase recruitment domain suggests potential mechanisms for its association with procaspase-1. Proteins, 81, 2013
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3BTH
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![BU of 3bth by Molmil](/molmil-images/mine/3bth) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | 分子名称: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | 著者 | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | 登録日 | 1999-03-10 | 公開日 | 2000-03-13 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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3BTQ
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![BU of 3btq by Molmil](/molmil-images/mine/3btq) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | 分子名称: | CALCIUM ION, PROTEIN (BOVINE PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | 著者 | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | 登録日 | 1999-03-10 | 公開日 | 2000-03-15 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
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4IHC
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![BU of 4ihc by Molmil](/molmil-images/mine/4ihc) | Crystal structure of probable mannonate dehydratase Dd703_0947 (target EFI-502222) from Dickeya dadantii Ech703 | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-12-18 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of mannonate dehydratase Dd703_0947 from Dickeya dadantii Ech703 To be Published
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4IKB
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![BU of 4ikb by Molmil](/molmil-images/mine/4ikb) | Crystal structure of SNX11 PX domain | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, SODIUM ION, ... | 著者 | Xu, J, Xu, T, Liu, J. | 登録日 | 2012-12-26 | 公開日 | 2013-04-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation to be published
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6GJJ
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![BU of 6gjj by Molmil](/molmil-images/mine/6gjj) | Cyclophilin A complexed with tri-vector ligand 2. | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | 登録日 | 2018-05-16 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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3BL8
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![BU of 3bl8 by Molmil](/molmil-images/mine/3bl8) | Crystal structure of the extracellular domain of neuroligin 2A from mouse | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jin, X, Koehnke, J, Shapiro, L. | 登録日 | 2007-12-10 | 公開日 | 2008-02-19 | 最終更新日 | 2021-03-31 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal structure of the extracellular cholinesterase-like domain from neuroligin-2. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4DP3
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![BU of 4dp3 by Molmil](/molmil-images/mine/4dp3) | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | 分子名称: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | 登録日 | 2012-02-13 | 公開日 | 2012-11-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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5DR4
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![BU of 5dr4 by Molmil](/molmil-images/mine/5dr4) | Endothiapepsin in complex with fragment 231 | 分子名称: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2015-09-15 | 公開日 | 2016-09-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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