5DLX
 
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide | | 分子名称: | Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide | | 著者 | Raux, B, Rebuffet, E, Betzi, S, Morelli, X. | | 登録日 | 2015-09-07 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
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5EJV
 | | RORy in complex with T090131718 and Coactivator peptide EBI96 | | 分子名称: | EBI96 Coactivator Peptide, N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma | | 著者 | Marcotte, D.M. | | 登録日 | 2015-11-02 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of biaryls as ROR gamma inverse agonists by using structure-based design.
Bioorg.Med.Chem.Lett., 26, 2016
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8IFM
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2YKS
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8IFL
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5D33
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5DXJ
 | | Crystal structure of CARM1 and sinefungin | | 分子名称: | GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2015-09-23 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
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8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | 登録日 | 2023-03-13 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
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5CVS
 | | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | | 分子名称: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | | 登録日 | 2015-07-27 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
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5ET3
 | | Crystal Structure of De novo Designed Fullerene organizing peptide | | 分子名称: | (C_{60}-I_{h})[5,6]fullerene, Fullerene Organizing Protein (C60Sol-COP-3) | | 著者 | Kim, K.-H, Kim, Y.H, Acharya, R, Kim, N.H, Paul, J, Grigoryan, G, DeGrado, W.F. | | 登録日 | 2015-11-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.671 Å) | | 主引用文献 | Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
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5DW8
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8OR1
 | | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | | 分子名称: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | | 著者 | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | | 登録日 | 2023-04-12 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
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5EBK
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4Q0B
 | | Crystal structure of HIV-1 reverse transcriptase in complex with gap-RNA/DNA and Nevirapine | | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*G)-3', ... | | 著者 | Das, K, Martinez, S.E, Arnold, E. | | 登録日 | 2014-04-01 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
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5ETH
 | | RORy in complex with inverse agonist 3. | | 分子名称: | 1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide, Nuclear receptor ROR-gamma | | 著者 | Marcotte, D.M. | | 登録日 | 2015-11-17 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Discovery of biaryls as ROR gamma inverse agonists by using structure-based design.
Bioorg.Med.Chem.Lett., 26, 2016
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8OZD
 | | cryoEM structure of SPARTA complex dimer-3 | | 分子名称: | DNA (16-MER), Piwi domain-containing protein, RNA (18-MER), ... | | 著者 | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | | 登録日 | 2023-05-09 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | | 主引用文献 | Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
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5EW1
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ... | | 著者 | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | 登録日 | 2015-11-20 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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5EW2
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ... | | 著者 | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | 登録日 | 2015-11-20 | | 公開日 | 2016-11-30 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.59 Å) | | 主引用文献 | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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4PUO
 | | Crystal structure of HIV-1 reverse transcriptase in complex with RNA/DNA and Nevirapine | | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(P*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*UP*G)-3', ... | | 著者 | Das, K, Martinez, S.E, Arnold, E. | | 登録日 | 2014-03-13 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | | 主引用文献 | Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
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5F3F
 | | Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain | | 分子名称: | 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH | | 著者 | Klein, R.D, Hultgren, S.J. | | 登録日 | 2015-12-02 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.
J.Med.Chem., 59, 2016
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4PWD
 | | Crystal structure of HIV-1 reverse transcriptase in complex with bulge-RNA/DNA and Nevirapine | | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*U)-3', ... | | 著者 | Das, K, Martinez, S.E, Arnold, E. | | 登録日 | 2014-03-19 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014
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4OKN
 | | Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ... | | 著者 | Kolappan, S, Craig, L. | | 登録日 | 2014-01-22 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
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3O2D
 | | Crystal structure of HIV-1 primary receptor CD4 in complex with a potent antiviral antibody | | 分子名称: | T-cell surface glycoprotein CD4, ibalizumab heavy chain, ibalizumab light chain | | 著者 | Freeman, M.M, Seaman, M.S, Rits-Volloch, S, Hong, X, Ho, D.D, Chen, B. | | 登録日 | 2010-07-22 | | 公開日 | 2010-12-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Crystal Structure of HIV-1 Primary Receptor CD4 in Complex with a Potent Antiviral Antibody.
Structure, 18, 2010
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2H5U
 | | Crystal structure of laccase from Cerrena maxima at 1.9A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Lyashenko, A.V, Gabdoulkhakov, A.G, Zaitsev, V.N, Lamzin, V.S, Lindley, P.F, Bento, I, Betzel, C, Zhukhlistova, N.E, Zhukova, Y.N, Mikhailov, A.M. | | 登録日 | 2006-05-27 | | 公開日 | 2007-05-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Purification, crystallization and preliminary X-ray study of the fungal laccase from Cerrena maxima
Acta Crystallogr.,Sect.F, 62, 2006
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2FEK
 | | Structure of a protein tyrosine phosphatase | | 分子名称: | Low molecular weight protein-tyrosine-phosphatase wzb | | 著者 | Lescop, E, Jin, C. | | 登録日 | 2005-12-16 | | 公開日 | 2006-05-09 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein-tyrosine phosphatases
J.Biol.Chem., 281, 2006
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