1GUN
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1GUT
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1GUO
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1GUS
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1GUG
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![BU of 1gug by Molmil](/molmil-images/mine/1gug) | MopII from Clostridium pasteurianum complexed with tungstate | 分子名称: | CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ... | 著者 | Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. | 登録日 | 2002-01-25 | 公開日 | 2002-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem., 277, 2002
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2BF7
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![BU of 2bf7 by Molmil](/molmil-images/mine/2bf7) | Leishmania major pteridine reductase 1 in complex with NADP and biopterin | 分子名称: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schuettelkopf, A.W, Hunter, W.N. | 登録日 | 2004-12-06 | 公開日 | 2005-08-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design J.Mol.Biol., 352, 2005
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2BFM
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2BFO
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2BFP
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![BU of 2bfp by Molmil](/molmil-images/mine/2bfp) | Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin | 分子名称: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schuettelkopf, A.W, Hunter, W.N. | 登録日 | 2004-12-10 | 公開日 | 2005-08-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design J.Mol.Biol., 352, 2005
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2BFA
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![BU of 2bfa by Molmil](/molmil-images/mine/2bfa) | Leishmania major pteridine reductase 1 in complex with NADP and CB3717 | 分子名称: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schuettelkopf, A.W, Hunter, W.N. | 登録日 | 2004-12-06 | 公開日 | 2005-08-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design J.Mol.Biol., 352, 2005
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1E92
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![BU of 1e92 by Molmil](/molmil-images/mine/1e92) | Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin | 分子名称: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Schuettelkopf, A.W, Hunter, W.N. | 登録日 | 2000-10-04 | 公開日 | 2001-10-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites Nat.Struct.Biol., 8, 2001
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4TXE
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![BU of 4txe by Molmil](/molmil-images/mine/4txe) | ScCTS1 in complex with compound 5 | 分子名称: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | 著者 | Schuettelkopf, A.W, van Aalten, D.M.F. | 登録日 | 2014-07-03 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors FEBS Lett, 588, 2014
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2XVP
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4AP0
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![BU of 4ap0 by Molmil](/molmil-images/mine/4ap0) | The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ... | 著者 | Schuettelkopf, A.W, Talapatra, S.K, Kozielski, F. | 登録日 | 2012-03-30 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | 主引用文献 | The Structure of the Ternary Eg5-Adp-Ispinesib Complex Acta Crystallogr.,Sect.D, 68, 2012
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3ZF8
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4AY5
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![BU of 4ay5 by Molmil](/molmil-images/mine/4ay5) | Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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4AY6
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![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | 著者 | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | 登録日 | 2012-06-18 | 公開日 | 2012-10-24 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
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5OTE
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![BU of 5ote by Molmil](/molmil-images/mine/5ote) | MRCK beta in complex with BDP-00008900 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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5OTF
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![BU of 5otf by Molmil](/molmil-images/mine/5otf) | MRCK beta in complex with BDP-00009066 | 分子名称: | (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2017-08-21 | 公開日 | 2018-02-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer. Cancer Res., 78, 2018
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2JLB
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![BU of 2jlb by Molmil](/molmil-images/mine/2jlb) | Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue | 分子名称: | CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ... | 著者 | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | 登録日 | 2008-09-07 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J., 27, 2008
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4UAL
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![BU of 4ual by Molmil](/molmil-images/mine/4ual) | MRCK beta in complex with BDP00005290 | 分子名称: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2014-08-10 | 公開日 | 2014-10-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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4UAK
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![BU of 4uak by Molmil](/molmil-images/mine/4uak) | MRCK beta in complex with ADP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Schuettelkopf, A.W. | 登録日 | 2014-08-10 | 公開日 | 2014-10-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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2XZ3
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![BU of 2xz3 by Molmil](/molmil-images/mine/2xz3) | BLV TM hairpin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ... | 著者 | Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F. | 登録日 | 2010-11-22 | 公開日 | 2011-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins. Plos Pathog., 7, 2011
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2XTK
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2W61
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