5MQP
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![BU of 5mqp by Molmil](/molmil-images/mine/5mqp) | Glycoside hydrolase BT_1002 | 分子名称: | CALCIUM ION, Glycoside hydrolase BT_1002 | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2016-12-20 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia To Be Published
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8S3R
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![BU of 8s3r by Molmil](/molmil-images/mine/8s3r) | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | 分子名称: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | 登録日 | 2024-02-20 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 2024
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8SBU
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![BU of 8sbu by Molmil](/molmil-images/mine/8sbu) | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | 登録日 | 2023-04-04 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of MBP fusion with HPPK from Methanocaldococcus jannaschii To be published
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5MRI
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![BU of 5mri by Molmil](/molmil-images/mine/5mri) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18 | 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, Sortilin, ... | 著者 | Andersen, J.L, Strandbygaard, D, Thirup, S. | 登録日 | 2016-12-23 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin. Bioorg. Med. Chem. Lett., 27, 2017
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3WRA
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![BU of 3wra by Molmil](/molmil-images/mine/3wra) | Crystal structure of the desB-Gallate complex exposed to Aerobic Atomosphere | 分子名称: | FE (II) ION, Gallate dioxygenase | 著者 | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | 登録日 | 2014-02-21 | 公開日 | 2014-04-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6 Plos One, 9, 2014
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8SD5
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![BU of 8sd5 by Molmil](/molmil-images/mine/8sd5) | Crystal structure of HPPK from Methanocaldococcus jannaschii | 分子名称: | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION | 著者 | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | 登録日 | 2023-04-06 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | 主引用文献 | Crystal structure of HPPK from Methanocaldococcus jannaschii To be published
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5MBM
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3OX9
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5MT2
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![BU of 5mt2 by Molmil](/molmil-images/mine/5mt2) | Glycoside hydrolase BT_0996 | 分子名称: | Beta-galactosidase, GLYCEROL | 著者 | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | 登録日 | 2017-01-06 | 公開日 | 2017-03-22 | 最終更新日 | 2017-08-30 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MTK
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![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | 分子名称: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | 著者 | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | 登録日 | 2017-01-09 | 公開日 | 2018-02-28 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
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1AJE
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![BU of 1aje by Molmil](/molmil-images/mine/1aje) | CDC42 FROM HUMAN, NMR, 20 STRUCTURES | 分子名称: | CDC42HS | 著者 | Feltham, J.L, Dotsch, V, Raza, S, Manor, D, Cerione, R.A, Sutcliffe, M.J, Wagner, G, Oswald, R.E. | 登録日 | 1997-05-02 | 公開日 | 1997-11-12 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Definition of the switch surface in the solution structure of Cdc42Hs. Biochemistry, 36, 1997
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5MTX
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![BU of 5mtx by Molmil](/molmil-images/mine/5mtx) | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | 分子名称: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Buehrmann, M, Rauh, D. | 登録日 | 2017-01-11 | 公開日 | 2017-09-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
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5MUA
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![BU of 5mua by Molmil](/molmil-images/mine/5mua) | PSL1a-E64 complex | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | 著者 | Cordara, G, Manna, D, Krengel, U. | 登録日 | 2017-01-12 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism. Biochemistry, 56, 2017
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5MUJ
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![BU of 5muj by Molmil](/molmil-images/mine/5muj) | BT0996 RGII Chain B Complex | 分子名称: | ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose | 著者 | Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J. | 登録日 | 2017-01-13 | 公開日 | 2017-04-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MES
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![BU of 5mes by Molmil](/molmil-images/mine/5mes) | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | 分子名称: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | 著者 | Hargreaves, D. | 登録日 | 2016-11-16 | 公開日 | 2017-01-18 | 最終更新日 | 2017-03-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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8RS5
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8RWL
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![BU of 8rwl by Molmil](/molmil-images/mine/8rwl) | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | 分子名称: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | 著者 | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | 登録日 | 2024-02-05 | 公開日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme. To Be Published
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5MGG
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5MGJ
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5MGL
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5MGU
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![BU of 5mgu by Molmil](/molmil-images/mine/5mgu) | Kinetic and Structural Changes in HsmtPheRS, Induced by Pathogenic Mutations in Human FARS2 | 分子名称: | PHENYLALANINE, Phenylalanine--tRNA ligase, mitochondrial | 著者 | Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M. | 登録日 | 2016-11-22 | 公開日 | 2017-05-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2. Protein Sci., 26, 2017
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3W77
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![BU of 3w77 by Molmil](/molmil-images/mine/3w77) | Crystal Structure of azoreductase AzrA | 分子名称: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | 著者 | Ogata, D, Yu, J, Ooi, T, Yao, M. | 登録日 | 2013-02-27 | 公開日 | 2014-02-12 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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3WR3
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![BU of 3wr3 by Molmil](/molmil-images/mine/3wr3) | Crystal structure of the anaerobic DesB-gallate complex | 分子名称: | 3,4,5-trihydroxybenzoic acid, FE (II) ION, Gallate dioxygenase | 著者 | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | 登録日 | 2014-02-13 | 公開日 | 2014-04-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6 Plos One, 9, 2014
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5MAD
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![BU of 5mad by Molmil](/molmil-images/mine/5mad) | GFP-binding DARPin 3G61 | 分子名称: | 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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5MBL
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