6D3I
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![BU of 6d3i by Molmil](/molmil-images/mine/6d3i) | ftv7 dioxygenase with 2,4-D bound | 分子名称: | (2,4-DICHLOROPHENOXY)ACETIC ACID, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | 著者 | Rydel, T.J, Halls, C.E. | 登録日 | 2018-04-16 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.196 Å) | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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6D3H
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![BU of 6d3h by Molmil](/molmil-images/mine/6d3h) | FT_T dioxygenase with bound dichlorprop | 分子名称: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | 著者 | Rydel, T.J, Halls, C.E. | 登録日 | 2018-04-16 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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1H4U
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![BU of 1h4u by Molmil](/molmil-images/mine/1h4u) | Domain G2 of mouse nidogen-1 | 分子名称: | NIDOGEN-1 | 著者 | Hopf, M, Gohring, W, Ries, A, Timpl, R, Hohenester, E. | 登録日 | 2001-05-14 | 公開日 | 2001-06-28 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure and Mutational Analysis of a Perlecan-Binding Fragment of Nidogen-1 Nat.Struct.Biol., 8, 2001
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4U45
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![BU of 4u45 by Molmil](/molmil-images/mine/4u45) | MAP4K4 in complex with inhibitor (compound 25) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U43
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![BU of 4u43 by Molmil](/molmil-images/mine/4u43) | MAP4K4 in complex with inhibitor (compound 6) | 分子名称: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4GFO
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![BU of 4gfo by Molmil](/molmil-images/mine/4gfo) | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 分子名称: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-08-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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6E7E
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![BU of 6e7e by Molmil](/molmil-images/mine/6e7e) | |
6E6A
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![BU of 6e6a by Molmil](/molmil-images/mine/6e6a) | |
3ZG0
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![BU of 3zg0 by Molmil](/molmil-images/mine/3zg0) | Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization | 分子名称: | CADMIUM ION, CHLORIDE ION, Ceftaroline, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2012-12-13 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZFZ
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![BU of 3zfz by Molmil](/molmil-images/mine/3zfz) | Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking | 分子名称: | CADMIUM ION, CHLORIDE ION, Ceftaroline, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2012-12-13 | 公開日 | 2013-10-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function Proc.Natl.Acad.Sci.USA, 110, 2013
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5CEL
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![BU of 5cel by Molmil](/molmil-images/mine/5cel) | CBH1 (E212Q) CELLOTETRAOSE COMPLEX | 分子名称: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | 著者 | Divne, C, Stahlberg, J, Jones, T.A. | 登録日 | 1997-09-24 | 公開日 | 1997-12-24 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 275, 1998
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3ZG5
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![BU of 3zg5 by Molmil](/molmil-images/mine/3zg5) | Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric | 分子名称: | CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ... | 著者 | Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2012-12-14 | 公開日 | 2013-10-09 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function Proc.Natl.Acad.Sci.USA, 110, 2013
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2XWY
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![BU of 2xwy by Molmil](/molmil-images/mine/2xwy) | Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase | 分子名称: | (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | 著者 | Di Marco, S, Baiocco, P. | 登録日 | 2010-11-06 | 公開日 | 2010-12-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54, 2011
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3DV1
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![BU of 3dv1 by Molmil](/molmil-images/mine/3dv1) | Crystal structure of human beta-secretase in complex with NVP-ARV999 | 分子名称: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2008-07-18 | 公開日 | 2009-02-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
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5VRN
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![BU of 5vrn by Molmil](/molmil-images/mine/5vrn) | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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5VRM
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![BU of 5vrm by Molmil](/molmil-images/mine/5vrm) | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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4I4W
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![BU of 4i4w by Molmil](/molmil-images/mine/4i4w) | Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Rizkallah, P.J, Wooldridge, L, Cole, D.K. | 登録日 | 2012-11-28 | 公開日 | 2013-01-02 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Peptide length determines the outcome of TCR/peptide-MHCI engagement. Blood, 121, 2013
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7JM5
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![BU of 7jm5 by Molmil](/molmil-images/mine/7jm5) | Crystal structure of KDM4B in complex with QC6352 | 分子名称: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | 著者 | White, S.W, Yun, M. | 登録日 | 2020-07-31 | 公開日 | 2022-02-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma. Sci Transl Med, 14, 2022
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7CEL
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![BU of 7cel by Molmil](/molmil-images/mine/7cel) | CBH1 (E217Q) IN COMPLEX WITH CELLOHEXAOSE AND CELLOBIOSE | 分子名称: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | 著者 | Divne, C, Stahlberg, J, Jones, T.A. | 登録日 | 1997-09-24 | 公開日 | 1997-12-24 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 275, 1998
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5GRT
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![BU of 5grt by Molmil](/molmil-images/mine/5grt) | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE | 著者 | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | 登録日 | 1997-02-12 | 公開日 | 1997-08-12 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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1GRT
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![BU of 1grt by Molmil](/molmil-images/mine/1grt) | HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | 著者 | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | 登録日 | 1996-12-17 | 公開日 | 1997-06-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity. Biochemistry, 36, 1997
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6XBC
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![BU of 6xbc by Molmil](/molmil-images/mine/6xbc) | |
6XBB
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![BU of 6xbb by Molmil](/molmil-images/mine/6xbb) | |
1P69
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![BU of 1p69 by Molmil](/molmil-images/mine/1p69) | STRUCTURAL BASIS FOR VARIATION IN ADENOVIRUS AFFINITY FOR THE CELLULAR RECEPTOR CAR (P417S MUTANT) | 分子名称: | Coxsackievirus and adenovirus receptor, Fiber protein | 著者 | Howitt, J, Bewley, M.C, Graziano, V, Flanagan, J.M, Freimuth, P. | 登録日 | 2003-04-29 | 公開日 | 2004-05-11 | 最終更新日 | 2018-08-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural basis for variation in adenovirus affinity for the cellular coxsackievirus and adenovirus receptor. J.Biol.Chem., 278, 2003
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