6SOV
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![BU of 6sov by Molmil](/molmil-images/mine/6sov) | Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | 分子名称: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-30 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6BYO
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5TBY
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![BU of 5tby by Molmil](/molmil-images/mine/5tby) | HUMAN BETA CARDIAC HEAVY MEROMYOSIN INTERACTING-HEADS MOTIF OBTAINED BY HOMOLOGY MODELING (USING SWISS-MODEL) OF HUMAN SEQUENCE FROM APHONOPELMA HOMOLOGY MODEL (PDB-3JBH), RIGIDLY FITTED TO HUMAN BETA-CARDIAC NEGATIVELY STAINED THICK FILAMENT 3D-RECONSTRUCTION (EMD-2240) | 分子名称: | Myosin light chain 3, Myosin regulatory light chain 2, ventricular/cardiac muscle isoform, ... | 著者 | ALAMO, L, WARE, J.S, PINTO, A, GILLILAN, R.E, SEIDMAN, J.G, SEIDMAN, C.E, PADRON, R. | 登録日 | 2016-09-13 | 公開日 | 2017-06-07 | 最終更新日 | 2020-01-08 | 実験手法 | ELECTRON MICROSCOPY (20 Å) | 主引用文献 | Effects of myosin variants on interacting-heads motif explain distinct hypertrophic and dilated cardiomyopathy phenotypes. Elife, 6, 2017
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3V56
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![BU of 3v56 by Molmil](/molmil-images/mine/3v56) | Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide. | 分子名称: | BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B | 著者 | Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G. | 登録日 | 2011-12-16 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER. Acta Crystallogr.,Sect.D, 68, 2012
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1XPU
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![BU of 1xpu by Molmil](/molmil-images/mine/1xpu) | Structural mechanism of inhibition of the Rho transcription termination factor by the antibiotic 5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin (FPDB) | 分子名称: | 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3', 5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN, MAGNESIUM ION, ... | 著者 | Skordalakes, E, Brogan, A.P, Park, B.S, Kohn, H, Berger, J.M. | 登録日 | 2004-10-09 | 公開日 | 2004-11-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin Structure, 13, 2005
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3SYU
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![BU of 3syu by Molmil](/molmil-images/mine/3syu) | Re-refined coordinates for pdb entry 1det - ribonuclease T1 carboxymethylated at GLU 58 in complex with 2'GMP | 分子名称: | GUANOSINE-2'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1, SODIUM ION, ... | 著者 | Smart, O.S, Womack, T.O, Bricogne, G. | 登録日 | 2011-07-18 | 公開日 | 2012-03-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER. Acta Crystallogr.,Sect.D, 68, 2012
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5PDB
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![BU of 5pdb by Molmil](/molmil-images/mine/5pdb) | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 67) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2017-02-03 | 公開日 | 2017-03-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | 分子名称: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | 著者 | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | 登録日 | 2019-06-18 | 公開日 | 2020-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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1PDB
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![BU of 1pdb by Molmil](/molmil-images/mine/1pdb) | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase | 分子名称: | Dihydrofolate reductase | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | 登録日 | 2003-05-19 | 公開日 | 2003-12-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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7PDB
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4PDB
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5AX8
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![BU of 5ax8 by Molmil](/molmil-images/mine/5ax8) | Recombinant expression, purification and preliminary crystallographic studies of the mature form of human mitochondrial aspartate aminotransferase | 分子名称: | Aspartate aminotransferase, mitochondrial | 著者 | Jiang, X, Wang, J, Chang, H, Zhou, Y. | 登録日 | 2015-07-20 | 公開日 | 2016-03-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.989 Å) | 主引用文献 | Recombinant expression, purification and crystallographic studies of the mature form of human mitochondrial aspartate aminotransferase Biosci Trends, 10, 2016
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3PD6
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![BU of 3pd6 by Molmil](/molmil-images/mine/3pd6) | Crystal structure of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV | 分子名称: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | 著者 | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | 登録日 | 2010-10-22 | 公開日 | 2010-11-10 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV. Biosci.Rep., 31, 2011
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3PDB
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![BU of 3pdb by Molmil](/molmil-images/mine/3pdb) | Crystal structure of mouse mitochondrial aspartate aminotransferase in complex with oxaloacetic acid | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, mitochondrial, ... | 著者 | Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J. | 登録日 | 2010-10-22 | 公開日 | 2010-11-10 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV. Biosci.Rep., 31, 2011
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2PDB
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![BU of 2pdb by Molmil](/molmil-images/mine/2pdb) | Human aldose reductase mutant F121P complexed with zopolrestat. | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Steuber, H, Heine, A, Klebe, G. | 登録日 | 2007-03-31 | 公開日 | 2008-04-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
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3V3W
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![BU of 3v3w by Molmil](/molmil-images/mine/3v3w) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2011-12-14 | 公開日 | 2012-01-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and glycerol to be published
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3V4B
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![BU of 3v4b by Molmil](/molmil-images/mine/3v4b) | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and L-tartrate | 分子名称: | CHLORIDE ION, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2011-12-14 | 公開日 | 2011-12-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal structure of an enolase from the soil bacterium Cellvibrio japonicus (TARGET EFI-502161) with bound MG and l-tartrate to be published
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6E0H
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7WBN
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![BU of 7wbn by Molmil](/molmil-images/mine/7wbn) | PDB structure of RevCC | 分子名称: | RevCC | 著者 | Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P. | 登録日 | 2021-12-17 | 公開日 | 2022-10-26 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets. J.Am.Chem.Soc., 144, 2022
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4W55
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![BU of 4w55 by Molmil](/molmil-images/mine/4w55) | T4 Lysozyme L99A with n-Propylbenzene Bound | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | 登録日 | 2014-08-16 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6401 Å) | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W58
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![BU of 4w58 by Molmil](/molmil-images/mine/4w58) | T4 Lysozyme L99A with n-Pentylbenzene Bound | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | 著者 | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | 登録日 | 2014-08-16 | 公開日 | 2015-04-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4WAJ
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4OA8
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1VHA
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1VHU
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