8QAY
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![BU of 8qay by Molmil](/molmil-images/mine/8qay) | Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ... | 著者 | Witek, W, Ruszkowski, M. | 登録日 | 2023-08-23 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
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2B2T
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![BU of 2b2t by Molmil](/molmil-images/mine/2b2t) | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and phosphothreonine 3 | 分子名称: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 tail | 著者 | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | 登録日 | 2005-09-19 | 公開日 | 2005-12-27 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Double chromodomains cooperate to recognize the methylated histone H3 tail. Nature, 438, 2005
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2B6A
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![BU of 2b6a by Molmil](/molmil-images/mine/2b6a) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 | 分子名称: | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit | 著者 | Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J. | 登録日 | 2005-09-30 | 公開日 | 2005-11-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 TO BE PUBLISHED
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2AJD
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![BU of 2ajd by Molmil](/molmil-images/mine/2ajd) | Porcine dipeptidyl peptidase IV (CD26) in complex with L-Pro-boro-L-Pro (boroPro) | 分子名称: | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W. | 登録日 | 2005-08-01 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV. J.Mol.Biol., 355, 2006
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1BUD
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![BU of 1bud by Molmil](/molmil-images/mine/1bud) | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0 | 分子名称: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | 著者 | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | 登録日 | 1998-09-03 | 公開日 | 1999-09-07 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus. J.Mol.Biol., 283, 1998
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2AI3
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![BU of 2ai3 by Molmil](/molmil-images/mine/2ai3) | Purine nucleoside phosphorylase from calf spleen | 分子名称: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | 著者 | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | 登録日 | 2005-07-28 | 公開日 | 2005-10-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase. Acta Crystallogr.,Sect.D, 61, 2005
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2AJC
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![BU of 2ajc by Molmil](/molmil-images/mine/2ajc) | Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ... | 著者 | Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W. | 登録日 | 2005-08-01 | 公開日 | 2006-02-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV. J.Mol.Biol., 355, 2006
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2WQB
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![BU of 2wqb by Molmil](/molmil-images/mine/2wqb) | Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor | 分子名称: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR | 著者 | Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A. | 登録日 | 2009-08-18 | 公開日 | 2009-11-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo. Bioorg.Med.Chem.Lett., 19, 2009
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1BSJ
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![BU of 1bsj by Molmil](/molmil-images/mine/1bsj) | COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | 分子名称: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ... | 著者 | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | 登録日 | 1998-08-28 | 公開日 | 2000-04-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for the design of antibiotics targeting peptide deformylase. Biochemistry, 38, 1999
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2AZ4
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![BU of 2az4 by Molmil](/molmil-images/mine/2az4) | Crystal Structure of a Protein of Unknown Function from Enterococcus faecalis V583 | 分子名称: | ZINC ION, hypothetical protein EF2904 | 著者 | Zhang, R, Maltseva, N, Moy, S, Collart, F, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-09-09 | 公開日 | 2005-10-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The 2.0 A crystal structure of a hypothetical protein from Enterococcus faecalis V583 To be Published
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1BJO
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2WJI
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![BU of 2wji by Molmil](/molmil-images/mine/2wji) | Structure and function of the FeoB G-domain from Methanococcus jannaschii | 分子名称: | FERROUS IRON TRANSPORT PROTEIN B HOMOLOG, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Koester, S, Wehner, M, Herrmann, C, Kuehlbrandt, W, Yildiz, O. | 登録日 | 2009-05-26 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | 主引用文献 | Structure and Function of the Feob G-Domain from Methanococcus Jannaschii J.Mol.Biol., 392, 2009
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8OR1
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![BU of 8or1 by Molmil](/molmil-images/mine/8or1) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | 分子名称: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | 著者 | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | 登録日 | 2023-04-12 | 公開日 | 2023-08-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors. J.Med.Chem., 66, 2023
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2WVO
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![BU of 2wvo by Molmil](/molmil-images/mine/2wvo) | Structure of the HET-S N-terminal domain | 分子名称: | CHLORIDE ION, SMALL S PROTEIN | 著者 | Greenwald, J, Buhtz, C, Ritter, C, Kwiatkowski, W, Choe, S, Saupe, S.J, Riek, R. | 登録日 | 2009-10-19 | 公開日 | 2010-07-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Mechanism of Prion Inhibition by Het-S. Mol.Cell, 38, 2010
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4H38
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4H4E
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![BU of 4h4e by Molmil](/molmil-images/mine/4h4e) | IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate | 分子名称: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | 著者 | Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M. | 登録日 | 2012-09-17 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH. Angew.Chem.Int.Ed.Engl., 52, 2013
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2WW6
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![BU of 2ww6 by Molmil](/molmil-images/mine/2ww6) | foldon containing D-amino acids in turn positions | 分子名称: | FIBRITIN, TETRAETHYLENE GLYCOL | 著者 | Eckhardt, B, Grosse, W, Essen, L.-O, Geyer, A. | 登録日 | 2009-10-22 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface. Proc.Natl.Acad.Sci.USA, 107, 2010
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2X7R
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8QVU
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![BU of 8qvu by Molmil](/molmil-images/mine/8qvu) | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | 分子名称: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | 登録日 | 2023-10-18 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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2B2B
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![BU of 2b2b by Molmil](/molmil-images/mine/2b2b) | Structural distortions in psoralen cross-linked DNA | 分子名称: | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, 5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3', CALCIUM ION, ... | 著者 | Hays, F.A, Yonggang, H, Eichman, B.F, Kong, W, Hearst, J, Ho, P.S. | 登録日 | 2005-09-19 | 公開日 | 2006-10-03 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural distortions in psoralen cross-linked DNA To be Published
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1BSK
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![BU of 1bsk by Molmil](/molmil-images/mine/1bsk) | ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | 分子名称: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, PHOSPHATE ION, PROTEIN (PEPTIDE DEFORMYLASE), ... | 著者 | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | 登録日 | 1998-08-28 | 公開日 | 2000-04-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for the design of antibiotics targeting peptide deformylase. Biochemistry, 38, 1999
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3U3P
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![BU of 3u3p by Molmil](/molmil-images/mine/3u3p) | The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6) | 分子名称: | Tumor necrosis factor receptor superfamily member 21 | 著者 | Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J. | 登録日 | 2011-10-06 | 公開日 | 2012-05-02 | 最終更新日 | 2013-07-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS Acta Crystallogr.,Sect.D, 68, 2012
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4H3C
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2B4M
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![BU of 2b4m by Molmil](/molmil-images/mine/2b4m) | Crystal structure of the binding protein OpuAC in complex with proline betaine | 分子名称: | 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding protein | 著者 | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | 登録日 | 2005-09-26 | 公開日 | 2006-03-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine. J.Mol.Biol., 357, 2006
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2B5T
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![BU of 2b5t by Molmil](/molmil-images/mine/2b5t) | 2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules | 分子名称: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Johnson, D.J, Li, W, Luis, S.A, Carrell, R.W, Huntington, J.A. | 登録日 | 2005-09-29 | 公開日 | 2006-09-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation. J.Biol.Chem., 281, 2006
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