4H34
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![BU of 4h34 by Molmil](/molmil-images/mine/4h34) | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | 登録日 | 2012-09-13 | 公開日 | 2013-10-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation To be Published
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6HXA
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![BU of 6hxa by Molmil](/molmil-images/mine/6hxa) | AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones | 分子名称: | AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | 著者 | Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H. | 登録日 | 2018-10-16 | 公開日 | 2019-08-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens. Chem Sci, 10, 2019
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1XYP
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![BU of 1xyp by Molmil](/molmil-images/mine/1xyp) | |
6NOE
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![BU of 6noe by Molmil](/molmil-images/mine/6noe) | |
5NAU
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![BU of 5nau by Molmil](/molmil-images/mine/5nau) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | 分子名称: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Caliandro, R, Pesaresi, A, Lamba, D. | 登録日 | 2017-02-28 | 公開日 | 2018-05-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
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5LLC
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![BU of 5llc by Molmil](/molmil-images/mine/5llc) | Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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1L8N
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![BU of 1l8n by Molmil](/molmil-images/mine/1l8n) | The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose | 分子名称: | 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ... | 著者 | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | 登録日 | 2002-03-21 | 公開日 | 2003-03-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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6NPO
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![BU of 6npo by Molmil](/molmil-images/mine/6npo) | Crystal structure of oligopeptide ABC transporter from Bacillus anthracis str. Ames (substrate-binding domain) | 分子名称: | Oligopeptide ABC transporter, oligopeptide-binding protein, Unknown peptide ligand, ... | 著者 | Michalska, K, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-01-18 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of oligopeptide ABC transporter from
Bacillus anthracis str. Ames (substrate-binding domain) To Be Published
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5LLG
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![BU of 5llg by Molmil](/molmil-images/mine/5llg) | Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide | 分子名称: | 4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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1XL4
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![BU of 1xl4 by Molmil](/molmil-images/mine/1xl4) | Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1 | 分子名称: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION | 著者 | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | 登録日 | 2004-09-30 | 公開日 | 2004-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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3GDW
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![BU of 3gdw by Molmil](/molmil-images/mine/3gdw) | Crystal structure of sigma-54 interaction domain protein from Enterococcus faecalis | 分子名称: | 1,2-ETHANEDIOL, Sigma-54 interaction domain protein | 著者 | Chang, C, Sather, A, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-02-24 | 公開日 | 2009-03-10 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of sigma-54 interaction domain protein from Enterococcus faecalis To be Published
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3B3I
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![BU of 3b3i by Molmil](/molmil-images/mine/3b3i) | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | 著者 | Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B. | 登録日 | 2007-10-22 | 公開日 | 2008-07-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes. J.Biol.Chem., 283, 2008
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5LW7
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![BU of 5lw7 by Molmil](/molmil-images/mine/5lw7) | S. solfataricus ABCE1 post-splitting state | 分子名称: | ABC transporter ATP-binding protein, IRON/SULFUR CLUSTER | 著者 | Heuer, A, Gerovac, M, Beckmann, R, Tampe, R. | 登録日 | 2016-09-15 | 公開日 | 2016-11-16 | 最終更新日 | 2019-02-20 | 実験手法 | ELECTRON MICROSCOPY (17 Å) | 主引用文献 | Structure of the ribosome post-recycling complex probed by chemical cross-linking and mass spectrometry. Nat Commun, 7, 2016
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1LTZ
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![BU of 1ltz by Molmil](/molmil-images/mine/1ltz) | CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM PHENYLALANINE HYDROXYLASE, STRUCTURE HAS BOUND IRON (III) AND OXIDIZED COFACTOR 7,8-DIHYDROBIOPTERIN | 分子名称: | 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ... | 著者 | Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C. | 登録日 | 2002-05-21 | 公開日 | 2002-07-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates. J.Mol.Biol., 320, 2002
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1KYT
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![BU of 1kyt by Molmil](/molmil-images/mine/1kyt) | Crystal Structure of Thermoplasma acidophilum 0175 (APC014) | 分子名称: | CALCIUM ION, hypothetical protein TA0175 | 著者 | Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2002-02-05 | 公開日 | 2003-01-21 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Thermoplasma acidophilum 0175 (APC014) To be published
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3MRH
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![BU of 3mrh by Molmil](/molmil-images/mine/3mrh) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide N3S variant | 分子名称: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | 登録日 | 2010-04-29 | 公開日 | 2011-05-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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3G42
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![BU of 3g42 by Molmil](/molmil-images/mine/3g42) | Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor | 分子名称: | ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION | 著者 | Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I. | 登録日 | 2009-02-03 | 公開日 | 2009-05-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem., 17, 2009
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2XKJ
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![BU of 2xkj by Molmil](/molmil-images/mine/2xkj) | CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE) | 分子名称: | GLYCEROL, SULFATE ION, TOPOISOMERASE IV | 著者 | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | 登録日 | 2010-07-08 | 公開日 | 2010-09-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance Nat.Struct.Mol.Biol., 17, 2010
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1GNC
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2XH5
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![BU of 2xh5 by Molmil](/molmil-images/mine/2xh5) | Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | 分子名称: | 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | 著者 | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | 登録日 | 2010-06-09 | 公開日 | 2010-06-16 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt). J.Med.Chem., 53, 2010
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6I2B
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![BU of 6i2b by Molmil](/molmil-images/mine/6i2b) | Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117 | 分子名称: | UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ... | 著者 | Mueller, J.M, Heine, A, Klebe, G. | 登録日 | 2018-11-01 | 公開日 | 2019-05-15 | 最終更新日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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1XL6
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![BU of 1xl6 by Molmil](/molmil-images/mine/1xl6) | Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1 | 分子名称: | Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ... | 著者 | Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M. | 登録日 | 2004-09-30 | 公開日 | 2004-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Two intermediate gating state crystal structures of the KirBac3.1 K+ channel To be Published
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3BC4
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![BU of 3bc4 by Molmil](/molmil-images/mine/3bc4) | I84V HIV-1 protease in complex with a pyrrolidine diester | 分子名称: | 2-aminoethyl naphthalen-1-ylacetate, DIMETHYL SULFOXIDE, protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2007-11-12 | 公開日 | 2008-09-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Targeting the open-flap conformation of HIV-1 protease with pyrrolidine-based inhibitors Chemmedchem, 3, 2008
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4JTC
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![BU of 4jtc by Molmil](/molmil-images/mine/4jtc) | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+ | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | 登録日 | 2013-03-23 | 公開日 | 2013-06-12 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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4JTD
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![BU of 4jtd by Molmil](/molmil-images/mine/4jtd) | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | 著者 | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | 登録日 | 2013-03-23 | 公開日 | 2013-06-12 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel. Elife, 2, 2013
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