6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | 分子名称: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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1GMO
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![BU of 1gmo by Molmil](/molmil-images/mine/1gmo) | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ... | 著者 | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | 登録日 | 2001-09-20 | 公開日 | 2001-10-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor Embo J., 20, 2001
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1GMX
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![BU of 1gmx by Molmil](/molmil-images/mine/1gmx) | Escherichia coli GlpE sulfurtransferase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, THIOSULFATE SULFURTRANSFERASE GLPE | 著者 | Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D. | 登録日 | 2001-09-25 | 公開日 | 2001-11-28 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily Structure, 9, 2001
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1SBE
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![BU of 1sbe by Molmil](/molmil-images/mine/1sbe) | SOYBEAN AGGLUTININ FROM GLYCINE MAX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | 著者 | Dessen, A, Olsen, L.R, Gupta, D, Sabesan, S, Sacchettini, J.C, Brewer, C.F. | 登録日 | 1995-07-13 | 公開日 | 1998-04-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray crystallographic studies of unique cross-linked lattices between four isomeric biantennary oligosaccharides and soybean agglutinin. Biochemistry, 36, 1997
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4YF0
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![BU of 4yf0 by Molmil](/molmil-images/mine/4yf0) | HU38-19bp | 分子名称: | DNA-binding protein HU-alpha, synthetic DNA strand | 著者 | Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D. | 登録日 | 2015-02-24 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | HU multimerization shift controls nucleoid compaction. Sci Adv, 2, 2016
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8GAA
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1SHR
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![BU of 1shr by Molmil](/molmil-images/mine/1shr) | Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution | 分子名称: | CYANIDE ION, FE (III) ION, Hemoglobin alpha chain, ... | 著者 | Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K. | 登録日 | 2004-02-26 | 公開日 | 2004-10-26 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb Biochemistry, 43, 2004
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1GL3
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![BU of 1gl3 by Molmil](/molmil-images/mine/1gl3) | ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN COMPLEX WITH NADP AND SUBSTRATE ANALOGUE S-METHYL CYSTEINE SULFOXIDE | 分子名称: | ASPARTATE-SEMIALDEHYDE DEHYDROGENASE, CYSTEINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hadfield, A.T, Kryger, G, Ouyang, J, Ringe, D, Petsko, G.A, Viola, R.E. | 登録日 | 2001-08-23 | 公開日 | 2001-11-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Active Site Analysis of the Potential Antimicrobial Target Aspartate Semialdehyde Dehydrogenase. Biochemistry, 40, 2001
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1GKQ
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8GL3
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4YSX
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![BU of 4ysx by Molmil](/molmil-images/mine/4ysx) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with the specific inhibitor NN23 | 分子名称: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | 登録日 | 2015-03-17 | 公開日 | 2015-08-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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1GJQ
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![BU of 1gjq by Molmil](/molmil-images/mine/1gjq) | Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex | 分子名称: | CYANIDE ION, HEME C, HEME D, ... | 著者 | Nurizzo, D, Brown, K, Tegoni, M, Cambillau, C. | 登録日 | 2001-08-01 | 公開日 | 2002-08-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Cyanide Binding to Cd(1) Nitrite Reductase from Pseudomonas Aeruginosa: Role of the Active-Site His369 in Ligand Stabilization. Biochem.Biophys.Res.Commun., 291, 2002
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4Y4P
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![BU of 4y4p by Molmil](/molmil-images/mine/4y4p) | Crystal structure of the Thermus thermophilus 70S ribosome with rRNA modifications and bound to mRNA and A-, P- and E-site tRNAs at 2.5A resolution | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Polikanov, Y.S, Melnikov, S.V, Soll, D, Steitz, T.A. | 登録日 | 2015-02-10 | 公開日 | 2015-03-18 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural insights into the role of rRNA modifications in protein synthesis and ribosome assembly. Nat.Struct.Mol.Biol., 22, 2015
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1R3N
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![BU of 1r3n by Molmil](/molmil-images/mine/1r3n) | Crystal structure of beta-alanine synthase from Saccharomyces kluyveri | 分子名称: | BETA-AMINO ISOBUTYRATE, ZINC ION, beta-alanine synthase | 著者 | Lundgren, S, Gojkovic, Z, Piskur, J, Dobritzsch, D. | 登録日 | 2003-10-02 | 公開日 | 2003-11-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Yeast beta-Alanine Synthase Shares a Structural Scaffold and Origin with Dizinc-dependent Exopeptidases J.Biol.Chem., 278, 2003
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6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | 分子名称: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | 著者 | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | 登録日 | 2019-03-26 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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1GL9
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![BU of 1gl9 by Molmil](/molmil-images/mine/1gl9) | |
6Q8P
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![BU of 6q8p by Molmil](/molmil-images/mine/6q8p) | Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine | 分子名称: | Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine | 著者 | Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-12-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. Eur J Med Chem, 166, 2019
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1RQR
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![BU of 1rqr by Molmil](/molmil-images/mine/1rqr) | Crystal structure and mechanism of a bacterial fluorinating enzyme, product complex | 分子名称: | 5'-FLUORO-5'-DEOXYADENOSINE, 5'-fluoro-5'-deoxyadenosine synthase, METHIONINE | 著者 | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | 登録日 | 2003-12-07 | 公開日 | 2004-03-02 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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4Y25
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![BU of 4y25 by Molmil](/molmil-images/mine/4y25) | Bacterial polysaccharide outer membrane secretin | 分子名称: | Poly-beta-1,6-N-acetyl-D-glucosamine export protein | 著者 | Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y. | 登録日 | 2015-02-09 | 公開日 | 2016-03-16 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.821 Å) | 主引用文献 | Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane J.Biol.Chem., 291, 2016
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1GMM
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![BU of 1gmm by Molmil](/molmil-images/mine/1gmm) | Carbohydrate binding module CBM6 from xylanase U Clostridium thermocellum | 分子名称: | CALCIUM ION, CBM6, SODIUM ION, ... | 著者 | Czjzek, M, Mosbah, A, Bolam, D, Allouch, J, Zamboni, V, Henrissat, B, Gilbert, H.J. | 登録日 | 2001-09-19 | 公開日 | 2001-11-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Location of the Ligand-Binding Site of Carbohydrate-Binding Modules that Have Evolved from a Common Sequence is not Conserved. J.Biol.Chem., 276, 2001
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6QA4
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![BU of 6qa4 by Molmil](/molmil-images/mine/6qa4) | ERK2 mini-fragment binding | 分子名称: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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8DLK
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![BU of 8dlk by Molmil](/molmil-images/mine/8dlk) | Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-07-08 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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6Q05
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![BU of 6q05 by Molmil](/molmil-images/mine/6q05) | MERS-CoV S structure in complex with sialyl-lewisX | 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, FOLIC ACID, ... | 著者 | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2019-08-01 | 公開日 | 2019-12-11 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors. Nat.Struct.Mol.Biol., 26, 2019
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8DLN
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![BU of 8dln by Molmil](/molmil-images/mine/8dln) | Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-07-08 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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8DLS
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![BU of 8dls by Molmil](/molmil-images/mine/8dls) | Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with Fab 4A8 (focused refinement of NTD and 4A8) | 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, Fab 4A8 heavy chain, ... | 著者 | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-07-08 | 公開日 | 2022-08-31 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization. Nat Commun, 13, 2022
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