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5JP9
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BU of 5jp9 by Molmil
Crystal Structure of cytidine monophosphate hydroxymethylase MilA with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CMP 5-hydroxymethylase
著者Zhao, G, He, X.
登録日2016-05-03
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
6XDG
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BU of 6xdg by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies
分子名称: REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ...
著者Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y.
登録日2020-06-10
公開日2020-06-24
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail.
Science, 369, 2020
8IH4
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BU of 8ih4 by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant
分子名称: Butyrophilin subfamily 2 member A2
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-22
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IGT
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BU of 8igt by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A1
分子名称: Butyrophilin subfamily 2 member A1, ZINC ION
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-21
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
6W9H
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BU of 6w9h by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
6W9I
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BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
1QLY
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BU of 1qly by Molmil
NMR Study of the SH3 Domain From Bruton's Tyrosine Kinase, 20 Structures
分子名称: TYROSINE-PROTEIN KINASE BTK
著者Tzeng, S.R, Lou, Y.C, Pai, M.T, Chen, C, Chen, S.H, Cheng, J.Y.
登録日1999-09-20
公開日1999-12-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the Human Btk SH3 Domain Complexed with a Proline-Rich Peptide from P120Cbl
J.Biomol.NMR, 16, 2000
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.M, Khan, J.A.
登録日2019-01-25
公開日2020-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
2BO3
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BU of 2bo3 by Molmil
Crystal Structure of HP0242, a Hypothetical Protein from Helicobacter pylori
分子名称: HYPOTHETICAL PROTEIN HP0242
著者Sun, Y.-J, Tsai, J.-Y, Chen, B.-T.
登録日2005-04-07
公開日2006-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structure of Hp0242, a Hypothetical Protein from Helicobacter Pylori with a Novel Fold
Proteins: Struct., Funct., Bioinf., 62, 2006
5MVS
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BU of 5mvs by Molmil
Crystal structure of Dot1L in complex with adenosine and inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine]
分子名称: ADENOSINE, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-17
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
5MW4
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BU of 5mw4 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide]
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
5MW3
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BU of 5mw3 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine]
分子名称: (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ACS Med Chem Lett, 8, 2017
4XKL
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BU of 4xkl by Molmil
Crystal structure of NDP52 ZF2 in complex with mono-ubiquitin
分子名称: ACETATE ION, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ...
著者Xie, X, Li, F, Wang, Y, Lin, Z, Chen, X, Liu, J, Pan, L.
登録日2015-01-12
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
6CDE
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BU of 6cde by Molmil
Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
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, Glycoprotein 120, ...
著者Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDO
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BU of 6cdo by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.456 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
3BY7
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BU of 3by7 by Molmil
CRYSTAL STRUCTURE OF A PROTEIN STRUCTURALLY SIMILAR TO SM/LSM-LIKE RNA-BINDING PROTEINS (JCVI_PEP_1096686650277) FROM UNCULTURED MARINE ORGANISM AT 2.60 A RESOLUTION
分子名称: uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-15
公開日2008-01-29
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a novel Sm-like protein of putative cyanophage origin at 2.60 A resolution.
Proteins, 75, 2009
1VK1
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BU of 1vk1 by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
分子名称: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-04-13
公開日2004-08-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
著者Greenfield, J, Herzberg, O.
登録日2020-03-11
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
分子名称: GLYCEROL, Lon211
著者Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
4WK8
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BU of 4wk8 by Molmil
FOXP3 forms a domain-swapped dimer to bridge DNA
分子名称: DNA (5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3'), Forkhead box protein P3
著者Chen, Y, Chen, L.
登録日2014-10-01
公開日2015-01-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.4006 Å)
主引用文献DNA binding by FOXP3 domain-swapped dimer suggests mechanisms of long-range chromosomal interactions.
Nucleic Acids Res., 43, 2015
3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-12-17
公開日2008-01-15
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
3DEE
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BU of 3dee by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE REGULATORY PROTEIN INVOLVED IN TRANSCRIPTION (NGO1945) FROM NEISSERIA GONORRHOEAE FA 1090 AT 2.25 A RESOLUTION
分子名称: CHLORIDE ION, IMIDAZOLE, Putative regulatory protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-06-09
公開日2008-08-05
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of the first representative of Pfam family PF09836 reveals a two-domain organization and suggests involvement in transcriptional regulation.
Acta Crystallogr.,Sect.F, 66, 2010
3CM1
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BU of 3cm1 by Molmil
Crystal structure of SsgA-like sporulation-specific cell division protein (YP_290167.1) from Thermobifida fusca YX-ER1 at 2.60 A resolution
分子名称: SsgA-like sporulation-specific cell division protein
著者Joint Center for Structural Genomics (JCSG), Chruszcz, M, Minor, W, Wang, S.
登録日2008-03-20
公開日2008-04-01
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional characterizations of SsgB, a conserved activator of developmental cell division in morphologically complex actinomycetes.
J.Biol.Chem., 284, 2009

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