4KJV
 
 | | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | | 分子名称: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Lukacs, C.M, Janson, C.A. | | 登録日 | 2013-05-03 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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2RDL
 | | Hamster Chymase 2 | | 分子名称: | Chymase 2, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION | | 著者 | Spurlino, J, Abad, M, Kervinen, J. | | 登録日 | 2007-09-24 | | 公開日 | 2007-10-30 | | 最終更新日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for elastolytic substrate specificity in rodent alpha-chymases.
J.Biol.Chem., 283, 2008
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2RFX
 | | Crystal Structure of HLA-B*5701, presenting the self peptide, LSSPVTKSF | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Archbold, J.K, Macdonald, W.A, Rossjohn, J, McCluskey, J. | | 登録日 | 2007-10-02 | | 公開日 | 2008-07-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Human leukocyte antigen class I-restricted activation of CD8+ T cells provides the immunogenetic basis of a systemic drug hypersensitivity
Immunity, 28, 2008
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2RRN
 | | Solution structure of SecDF periplasmic domain P4 | | 分子名称: | Probable SecDF protein-export membrane protein | | 著者 | Tanaka, T, Tsukazaki, T, Echizen, Y, Nureki, O, Kohno, T. | | 登録日 | 2011-01-30 | | 公開日 | 2011-05-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and function of a membrane component SecDF that enhances protein export
Nature, 474, 2011
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2WHX
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4MIB
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide) | | 分子名称: | DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | 著者 | Harris, S.F, Villasenor, A.G. | | 登録日 | 2013-08-30 | | 公開日 | 2014-05-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
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4MIA
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide) | | 分子名称: | N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION | | 著者 | Harris, S.F, Villasenor, A.G. | | 登録日 | 2013-08-30 | | 公開日 | 2014-05-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
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2WBM
 | | Crystal structure of mthSBDS, the homologue of the Shwachman-Bodian- Diamond syndrome protein in the euriarchaeon Methanothermobacter thermautotrophicus | | 分子名称: | CHLORIDE ION, GLYCEROL, RIBOSOME MATURATION PROTEIN SDO1 HOMOLOG, ... | | 著者 | Ng, C.L, Isupov, M.N, Lebedev, A.A, Ortiz-Lombardia, M, Antson, A.A. | | 登録日 | 2009-03-02 | | 公開日 | 2009-06-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Conformational Flexibility and Molecular Interactions of an Archaeal Homologue of the Shwachman-Bodian-Diamond Syndrome Protein.
Bmc Struct.Biol., 9, 2009
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2WGR
 | | Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase | | 分子名称: | GLUTATHIONE PEROXIDASE, PYROPHOSPHATE 2- | | 著者 | Dimastrogiovanni, D, Anselmi, M, Miele, A.E, Boumis, G, Angelucci, F, Di Nola, A, Brunori, M, Bellelli, A. | | 登録日 | 2009-04-24 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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4N00
 | | Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS | | 分子名称: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A, Smith, D. | | 登録日 | 2013-09-30 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system.
J.Med.Chem., 57, 2014
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4K9F
 | | Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL | | 分子名称: | FE (III) ION, Rubredoxin | | 著者 | Munshi, P, Meilleur, F, Myles, D. | | 登録日 | 2013-04-19 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | NEUTRON DIFFRACTION (1.75 Å) | | 主引用文献 | The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 69, 2013
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4KJU
 | | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | | 分子名称: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | | 著者 | Lukacs, C.M, Janson, C.A. | | 登録日 | 2013-05-03 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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4KRF
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4KPP
 | | Crystal Structure of H+/Ca2+ Exchanger CAX | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, OLEIC ACID, ... | | 著者 | Nishizawa, T, Ishitani, R, Nureki, O. | | 登録日 | 2013-05-14 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger.
Science, 341, 2013
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2XDE
 | | Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain | | 分子名称: | GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Brown, D.G, Irving, S.L, Anderson, M, Bazin, R. | | 登録日 | 2010-04-30 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
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4NI7
 | | Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025) | | 分子名称: | Interleukin-6, SODIUM ION, SOMAmer SL1025 | | 著者 | Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C. | | 登録日 | 2013-11-05 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
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2V1M
 | | Crystal structure of Schistosoma mansoni glutathione peroxidase | | 分子名称: | ACETATE ION, GLUTATHIONE PEROXIDASE, LITHIUM ION, ... | | 著者 | Dimastrogiovanni, D, Miele, A.E, Angelucci, F, Boumis, G, Bellelli, A, Brunori, M. | | 登録日 | 2008-09-16 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Combining Crystallography and Molecular Dynamics: The Case of Schistosoma Mansoni Phospholipid Glutathione Peroxidase.
Proteins, 78, 2010
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4NI9
 | | Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2 | | 分子名称: | Interleukin-6, SODIUM ION, SOMAmer SL1025 | | 著者 | Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C. | | 登録日 | 2013-11-05 | | 公開日 | 2014-01-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
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2WZQ
 | | Insertion Mutant E173GP174 of the NS3 protease-helicase from dengue virus | | 分子名称: | CHLORIDE ION, GLYCEROL, NS3 PROTEASE-HELICASE | | 著者 | Luo, D, Wei, N, Doan, D, Paradkar, P, Chong, Y, Davidson, A, Kotaka, M, Lescar, J, Vasudevan, S. | | 登録日 | 2009-12-02 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Flexibility between the Protease and Helicase Domains of the Dengue Virus Ns3 Protein Conferred by the Linker Region and its Functional Implications.
J.Biol.Chem., 285, 2010
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2XXS
 | | Solution structure of the N-terminal domain of the Shigella type III secretion protein MxiG | | 分子名称: | PROTEIN MXIG | | 著者 | McDowell, M.A, Johnson, S, Deane, J.E, McDonnell, J.M, Lea, S.M. | | 登録日 | 2010-11-11 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Functional Studies on the N-Terminal Domain of the Shigella Type III Secretion Protein Mxig.
J.Biol.Chem., 286, 2011
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6QUS
 | | HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule | | 分子名称: | Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A. | | 登録日 | 2019-02-28 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
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5A5O
 | | Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one | | 分子名称: | 1,2-ETHANEDIOL, 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | | 著者 | Chung, C, Bamborough, P, Demont, E. | | 登録日 | 2015-06-20 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
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6R90
 | | Cryo-EM structure of NCP-THF2(+1)-UV-DDB class A | | 分子名称: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | | 著者 | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | 登録日 | 2019-04-02 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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6R91
 | | Cryo-EM structure of NCP_THF2(-3)-UV-DDB | | 分子名称: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | | 著者 | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | 登録日 | 2019-04-02 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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5AOU
 | | Structure of the engineered retro-aldolase RA95.5-8F apo | | 分子名称: | 1,2-ETHANEDIOL, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, PHOSPHATE ION | | 著者 | Obexer, R, Mittl, P, Hilvert, D. | | 登録日 | 2015-09-11 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
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