4PV2
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![BU of 4pv2 by Molmil](/molmil-images/mine/4pv2) | Crystal structure of potassium-dependent plant-type L-asparaginase from Phaseolus vulgaris in complex with K+ and Na+ cations | 分子名称: | L-ASPARAGINASE ALPHA SUBUNIT, L-ASPARAGINASE BETA SUBUNIT, NITRATE ION, ... | 著者 | Bejger, M, Gilski, M, Imiolczyk, B, Clavel, D, Jaskolski, M. | 登録日 | 2014-03-14 | 公開日 | 2014-09-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Na+/K+ exchange switches the catalytic apparatus of potassium-dependent plant L-asparaginase Acta Crystallogr.,Sect.D, 70, 2014
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3GF3
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![BU of 3gf3 by Molmil](/molmil-images/mine/3gf3) | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaconyl-coA | 分子名称: | CHLORIDE ION, CROTONYL COENZYME A, Glutaconyl-CoA decarboxylase subunit A | 著者 | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | 登録日 | 2009-02-26 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
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3DG1
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![BU of 3dg1 by Molmil](/molmil-images/mine/3dg1) | Segment SSTNVG derived from IAPP | 分子名称: | SSTNVG from Islet Amyloid Polypeptide | 著者 | Wiltzius, J.J, Sievers, S.A, Sawaya, M.R, Cascio, D, Eisenberg, D. | 登録日 | 2008-06-12 | 公開日 | 2008-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Atomic structure of the cross-beta spine of islet amyloid polypeptide (amylin). Protein Sci., 17, 2008
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3GMA
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![BU of 3gma by Molmil](/molmil-images/mine/3gma) | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaryl-CoA | 分子名称: | Glutaconyl-CoA decarboxylase subunit A, glutaryl-coenzyme A | 著者 | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | 登録日 | 2009-03-13 | 公開日 | 2009-07-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
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2JVM
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![BU of 2jvm by Molmil](/molmil-images/mine/2jvm) | Solution NMR structure of Rhodobacter sphaeroides protein RHOS4_26430. Northeast Structural Genomics Consortium target RhR95 | 分子名称: | Uncharacterized protein | 著者 | Eletsky, A, Sukumaran, D, Zhang, Q, Parish, D, Xu, D, Wang, H, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-09-21 | 公開日 | 2007-10-16 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR Structure of Rhodobacter sphaeroides protein RHOS4_26430. To be Published
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6HLJ
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![BU of 6hlj by Molmil](/molmil-images/mine/6hlj) | Variant G129S of NuoEF from Aquifex aeolicus - oxidized from | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | 登録日 | 2018-09-11 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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3UXA
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![BU of 3uxa by Molmil](/molmil-images/mine/3uxa) | Designed protein KE59 R1 7/10H | 分子名称: | Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | 著者 | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | 登録日 | 2011-12-05 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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6Z4T
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6HPW
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![BU of 6hpw by Molmil](/molmil-images/mine/6hpw) | Crystal structure of ENL (MLLT1) in complex with compound 20 | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-22 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6HQ0
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![BU of 6hq0 by Molmil](/molmil-images/mine/6hq0) | Crystal structure of ENL (MLLT1), apo form | 分子名称: | 1,2-ETHANEDIOL, Protein ENL | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-22 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6Z4R
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6HMQ
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![BU of 6hmq by Molmil](/molmil-images/mine/6hmq) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | 著者 | Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M. | 登録日 | 2018-09-12 | 公開日 | 2019-03-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
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3HLJ
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![BU of 3hlj by Molmil](/molmil-images/mine/3hlj) | Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide | 分子名称: | 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide, Carbonic anhydrase 2, SODIUM ION, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2009-05-27 | 公開日 | 2010-03-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Inhibition and binding studies of carbonic anhydrase isozymes I, II and IX with benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulphonamides J Enzyme Inhib Med Chem, 25, 2010
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4ZAA
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![BU of 4zaa by Molmil](/molmil-images/mine/4zaa) | Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, 2-Methoxy-4-vinylphenol, ... | 著者 | Payne, K.A.P, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.242 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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3UZ5
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![BU of 3uz5 by Molmil](/molmil-images/mine/3uz5) | Designed protein KE59 R13 3/11H | 分子名称: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ... | 著者 | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | 登録日 | 2011-12-07 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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6HV2
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![BU of 6hv2 by Molmil](/molmil-images/mine/6hv2) | MMP-13 in complex with the peptide IMISF | 分子名称: | CALCIUM ION, Collagenase 3, GLYCEROL, ... | 著者 | Mittl, P, Riedl, R, Hohl, D. | 登録日 | 2018-10-10 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.709 Å) | 主引用文献 | Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template. Angew.Chem.Int.Ed.Engl., 58, 2019
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1MS6
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![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | 登録日 | 2002-09-19 | 公開日 | 2003-04-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
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1MUI
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![BU of 1mui by Molmil](/molmil-images/mine/1mui) | Crystal structure of HIV-1 protease complexed with Lopinavir. | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | 登録日 | 2002-09-23 | 公開日 | 2002-10-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease BIOORG.MED.CHEM., 10, 2002
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3UZJ
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![BU of 3uzj by Molmil](/molmil-images/mine/3uzj) | Designed protein KE59 R13 3/11H with benzotriazole | 分子名称: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION | 著者 | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | 登録日 | 2011-12-07 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3HVH
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![BU of 3hvh by Molmil](/molmil-images/mine/3hvh) | Rat catechol O-methyltransferase in complex with a catechol-type, N6-methyladenine-containing bisubstrate inhibitor | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | 登録日 | 2009-06-16 | 公開日 | 2009-10-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor. Angew.Chem.Int.Ed.Engl., 48, 2009
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4ZA0
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![BU of 4za0 by Molmil](/molmil-images/mine/4za0) | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | 分子名称: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | 著者 | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | 登録日 | 2015-04-13 | 公開日 | 2016-04-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | SF2312 is a natural phosphonate inhibitor of enolase. Nat.Chem.Biol., 12, 2016
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4ZAD
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![BU of 4zad by Molmil](/molmil-images/mine/4zad) | Structure of C. dubliensis Fdc1 with the prenylated-flavin cofactor in the iminium form. | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Fdc1, MANGANESE (II) ION, ... | 著者 | Bailey, S.S, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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4ZAV
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![BU of 4zav by Molmil](/molmil-images/mine/4zav) | UbiX in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | 分子名称: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, SODIUM ION, ... | 著者 | White, M.D, Leys, D. | 登録日 | 2015-04-14 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis. Nature, 522, 2015
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4ZA9
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![BU of 4za9 by Molmil](/molmil-images/mine/4za9) | Structure of A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor | 分子名称: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, MANGANESE (II) ION, POTASSIUM ION, ... | 著者 | Payne, K.A.P, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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7RA7
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![BU of 7ra7 by Molmil](/molmil-images/mine/7ra7) | Crystal structure of rabbit anti-HIV Fab 11A | 分子名称: | 11A Fab heavy chain, 11A Fab light chain, PENTAETHYLENE GLYCOL, ... | 著者 | Oyen, D, Wilson, I.A. | 登録日 | 2021-06-30 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Limited breadth of anti-HIV Env glycan hole antibodies is further hindered by strain-specific peptide interactions To Be Published
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