5HTC
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![BU of 5htc by Molmil](/molmil-images/mine/5htc) | Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372 | 分子名称: | (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name), (4S)-2-METHYL-2,4-PENTANEDIOL, ARC-3372 INHIBITOR, ... | 著者 | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-01-26 | 公開日 | 2016-03-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors. Acta Crystallogr.,Sect.F, 72, 2016
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4DFG
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![BU of 4dfg by Molmil](/molmil-images/mine/4dfg) | Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A | 分子名称: | CHLORIDE ION, Protease, SODIUM ION, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2012-01-23 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2VRP
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![BU of 2vrp by Molmil](/molmil-images/mine/2vrp) | Structure of rhodocytin | 分子名称: | AGGRETIN ALPHA CHAIN, AGGRETIN BETA CHAIN, CHLORIDE ION, ... | 著者 | Watson, A.A, O'Callaghan, C.A. | 登録日 | 2008-04-09 | 公開日 | 2008-07-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal Structure of Rhodocytin, a Ligand for the Platelet-Activating Receptor Clec-2. Protein Sci., 17, 2008
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5ILC
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![BU of 5ilc by Molmil](/molmil-images/mine/5ilc) | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme a compound 2, a platin(II) compound containing a O, S bidentate ligand | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Merlino, A, Ferraro, G. | 登録日 | 2016-03-04 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
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1UD5
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![BU of 1ud5 by Molmil](/molmil-images/mine/1ud5) | Crystal structure of AmyK38 with rubidium ion | 分子名称: | RUBIDIUM ION, SODIUM ION, amylase | 著者 | Nonaka, T, Fujihashi, M, Kita, A, Hagihara, H, Ozaki, K, Ito, S, Miki, K. | 登録日 | 2003-04-28 | 公開日 | 2003-07-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of calcium-free alpha-amylase from Bacillus sp. strain KSM-K38 (AmyK38) and its sodium ion binding sites J.Biol.Chem., 278, 2003
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5I8G
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![BU of 5i8g by Molmil](/molmil-images/mine/5i8g) | CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | 分子名称: | (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Murray, J.M. | 登録日 | 2016-02-18 | 公開日 | 2016-04-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
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4CVU
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![BU of 4cvu by Molmil](/molmil-images/mine/4cvu) | Structure of Fungal beta-mannosidase from Glycoside Hydrolase Family 2 of Trichoderma harzianum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-MANNOSIDASE, CADMIUM ION, ... | 著者 | Muniz, J.R.C, Aparicio, R, Santos, J.C, Nascimento, A.S, Golubev, A.M, Polikarpov, I. | 登録日 | 2014-03-31 | 公開日 | 2014-07-09 | 最終更新日 | 2023-07-05 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Insights into the structure and function of fungal beta-mannosidases from glycoside hydrolase family 2 based on multiple crystal structures of the Trichoderma harzianum enzyme. FEBS J., 281, 2014
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5IAS
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![BU of 5ias by Molmil](/molmil-images/mine/5ias) | Caspase 3 V266Y | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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4CT2
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![BU of 4ct2 by Molmil](/molmil-images/mine/4ct2) | Human PDK1-PKCzeta Kinase Chimera | 分子名称: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ... | 著者 | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | 登録日 | 2014-03-11 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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2OGE
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6ZMX
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![BU of 6zmx by Molmil](/molmil-images/mine/6zmx) | Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in orthorhombic form at 1.4 Angstrom resolution | 分子名称: | Hemoglobin beta chain, Hemoglobin subunit alpha-A, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Pandian, R, Shobana, N, Sundaresan, S.S, Sayed, Y, Ponnuswamy, M.N. | 登録日 | 2020-07-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.389 Å) | 主引用文献 | Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties. Acta Crystallogr D Struct Biol, 77, 2021
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5JDA
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![BU of 5jda by Molmil](/molmil-images/mine/5jda) | Bacillus cereus CotH kinase plus Mg2+/AMP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | 登録日 | 2016-04-15 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | 主引用文献 | Phosphorylation of spore coat proteins by a family of atypical protein kinases. Proc.Natl.Acad.Sci.USA, 113, 2016
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4DWG
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![BU of 4dwg by Molmil](/molmil-images/mine/4dwg) | Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ... | 著者 | Aripirala, S, Amzel, L.M, Gabelli, S.B. | 登録日 | 2012-02-24 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase. J.Med.Chem., 55, 2012
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3ASO
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![BU of 3aso by Molmil](/molmil-images/mine/3aso) | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 0.9 angstrom wavelength | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | 登録日 | 2010-12-17 | 公開日 | 2011-08-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase Acta Crystallogr.,Sect.D, 67, 2011
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2OT9
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2P1R
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![BU of 2p1r by Molmil](/molmil-images/mine/2p1r) | Crystal structure of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases. | 分子名称: | CALCIUM ION, CHLORIDE ION, Lipid kinase yegS, ... | 著者 | Nichols, C.E, Lamb, H.K, Lockyer, M, Charles, I.G, Pyne, S, Hawkins, A.R, Stammers, D.K. | 登録日 | 2007-03-06 | 公開日 | 2007-10-23 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Characterization of Salmonella typhimurium YegS, a putative lipid kinase homologous to eukaryotic sphingosine and diacylglycerol kinases Proteins: Struct.,Funct.,Genet., 68, 2007
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3ASN
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![BU of 3asn by Molmil](/molmil-images/mine/3asn) | Bovine heart cytochrome C oxidase in the fully oxidized state measured at 1.7470 angstrom wavelength | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Suga, M, Yano, N, Muramoto, K, Shinzawa-Itoh, K, Maeda, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | 登録日 | 2010-12-17 | 公開日 | 2011-08-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Distinguishing between Cl- and O2(2-) as the bridging element between Fe3+ and Cu2+ in resting-oxidized cytochrome c oxidase Acta Crystallogr.,Sect.D, 67, 2011
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2WNH
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![BU of 2wnh by Molmil](/molmil-images/mine/2wnh) | Crystal Structure Analysis of Klebsiella sp ASR1 Phytase | 分子名称: | 3-PHYTASE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Bohm, K, Mueller, J.J, Heinemann, U. | 登録日 | 2009-07-09 | 公開日 | 2010-04-28 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystal Structure of Klebsiella Sp. Asr1 Phytase Suggests Substrate Binding to a Preformed Active Site that Meets the Requirements of a Plant Rhizosphere Enzyme. FEBS J., 277, 2010
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7BOM
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![BU of 7bom by Molmil](/molmil-images/mine/7bom) | Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr immobilized with gold ions. | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | 著者 | Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T. | 登録日 | 2020-03-19 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage Chem Lett., 49, 2021
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2X0A
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1NNB
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![BU of 1nnb by Molmil](/molmil-images/mine/1nnb) | THREE-DIMENSIONAL STRUCTURE OF INFLUENZA A N9 NEURAMINIDASE AND ITS COMPLEX WITH THE INHIBITOR 2-DEOXY 2,3-DEHYDRO-N-ACETYL NEURAMINIC ACID | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, NEURAMINIDASE | 著者 | Bossart-Whitaker, P, Carson, M, Babu, Y.S, Smith, C.D, Laver, W.G, Air, G.M. | 登録日 | 1993-03-08 | 公開日 | 1994-04-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid. J.Mol.Biol., 232, 1993
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6ZMU
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![BU of 6zmu by Molmil](/molmil-images/mine/6zmu) | Crystal structure of the germline-specific thioredoxin protein Deadhead (Thioredoxin-1) from Drospohila melanogaster, P43212 | 分子名称: | SODIUM ION, SULFATE ION, Thioredoxin-1 | 著者 | Baginski, B, Pluta, R, Macias, M.J. | 登録日 | 2020-07-03 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins. Iucrj, 8, 2021
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5I5A
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![BU of 5i5a by Molmil](/molmil-images/mine/5i5a) | quasi racemic structure of allo-Ile7-ShK and D-ShK | 分子名称: | D-MALATE, D-ShK, GLYCEROL, ... | 著者 | Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | 登録日 | 2016-02-14 | 公開日 | 2017-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin. Angew. Chem. Int. Ed. Engl., 56, 2017
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5IAN
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![BU of 5ian by Molmil](/molmil-images/mine/5ian) | Caspase 3 V266N | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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3B1E
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![BU of 3b1e by Molmil](/molmil-images/mine/3b1e) | Crystal structure of betaC-S lyase from Streptococcus anginosus in complex with L-serine: alpha-Aminoacrylate form | 分子名称: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Kezuka, Y, Yoshida, Y, Nonaka, T. | 登録日 | 2011-06-29 | 公開日 | 2012-06-27 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural insights into catalysis by beta C-S lyase from Streptococcus anginosus Proteins, 80, 2012
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